UCSF

ZINC04005199

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 18 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) 1.59 7.09 -32.15 1 4 1 38 243.286 1
Mid Mid (pH 6-8) 1.59 6.63 -11.71 0 4 0 36 242.278 1

Activity (Go SEA)

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