UCSF

ZINC14984294

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 11 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.67 -0.24 -41.9 1 3 -1 52 151.12 0
Ref Reference (pH 7) 0.83 1.08 -8.39 1 3 0 42 152.128 0
Mid Mid (pH 6-8) 1.21 1.12 -15.08 2 3 0 49 152.128 0
Mid Mid (pH 6-8) 1.67 -1.01 -10.09 2 3 0 49 152.128 0

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.