UCSF

ZINC41720326

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) 3.57 9.46 -80.6 3 3 2 31 285.435 5
Hi High (pH 8-9.5) 3.57 9.03 -42.97 2 3 1 29 284.427 5

Activity (Go SEA)

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