UCSF

ZINC03291381

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 16 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) 3.18 8.95 -37.04 1 2 1 22 283.189 3
Hi High (pH 8-9.5) 3.18 6.79 -5.18 0 2 0 20 282.181 3

Activity (Go SEA)

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