UCSF

ZINC34674466

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 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) 2.12 7.93 -39.19 1 3 1 37 217.292 5
Hi High (pH 8-9.5) 2.12 5.63 -6.49 0 3 0 36 216.284 5

Activity (Go SEA)

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