UCSF

ZINC42944781

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 17 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) 2.71 5.99 -42.35 3 2 1 31 253.797 5
Mid Mid (pH 6-8) 2.71 7.17 -34.29 3 2 1 30 253.797 5

Activity (Go SEA)

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