UCSF

ZINC95726237

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2014 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.85 4.74 -3.58 2 3 0 38 192.262 3
Mid Mid (pH 6-8) 1.85 4.65 -30.87 3 3 1 40 193.27 3

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

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