UCSF

ZINC20545163

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 19 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) 3.36 10.53 -39.53 2 1 1 17 252.381 3
Hi High (pH 8-9.5) 3.36 9.18 -3.55 1 1 0 12 251.373 3

Activity (Go SEA)

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