UCSF

ZINC49728088

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 14 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) 2.11 4.97 -34.3 2 2 1 25 214.354 6
Mid Mid (pH 6-8) 2.11 2.68 -3.89 1 2 0 23 213.346 6

Activity (Go SEA)

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