UCSF

ZINC00352593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 18 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) 3.18 7.22 -44.08 2 4 1 37 254.398 3
Mid Mid (pH 6-8) 3.18 4.86 -7.81 1 4 0 36 253.39 3

Activity (Go SEA)

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