UCSF

ZINC36883445

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 1.33 3.81 -42.11 3 2 1 31 211.304 6
Mid Mid (pH 6-8) 1.33 5.56 -37.55 3 2 1 30 211.304 6

Activity (Go SEA)

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