UCSF

ZINC44610122

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 21 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) -0.31 4.4 -110.58 4 8 2 91 292.391 6
Mid Mid (pH 6-8) -0.31 2.2 -50.82 3 8 1 90 291.383 6

Activity (Go SEA)

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