UCSF

ZINC01406282

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 14 Yes

Other Names:

MFCD01814617

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) 1.76 7.78 -6.03 0 3 0 27 188.23 4
Mid Mid (pH 6-8) 1.76 8.54 -32.15 1 3 1 28 189.238 4

Activity (Go SEA)

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

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