UCSF

ZINC42380573

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 32 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) 1.87 7.87 -17.86 0 9 0 94 435.484 6
Mid Mid (pH 6-8) 1.87 8.21 -46.9 1 9 1 95 436.492 6

Activity (Go SEA)

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