UCSF

ZINC20265829

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 13 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) 0.79 3.16 -43.57 3 3 1 48 185.291 1
Hi High (pH 8-9.5) 0.79 2.84 -8.67 2 3 0 46 184.283 1

Activity (Go SEA)

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