UCSF

ZINC45630757

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 3.17 7.6 -35.06 2 2 1 20 237.411 4
Mid Mid (pH 6-8) 3.17 9.1 -102.53 3 2 2 21 238.419 4

Activity (Go SEA)

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