UCSF

ZINC42549378

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 16 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) -0.12 7.12 -46.44 1 4 1 49 222.312 6
Mid Mid (pH 6-8) -0.12 4.85 -12.37 0 4 0 47 221.304 6

Activity (Go SEA)

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