UCSF

ZINC42308655

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 15 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) -0.18 0.96 -49.12 3 4 1 51 214.333 3
Mid Mid (pH 6-8) -0.18 3.01 -97.56 4 4 2 52 215.341 3

Activity (Go SEA)

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