UCSF

ZINC34674567

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 18 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) 2.98 9.38 -36.03 1 3 1 37 245.346 7
Hi High (pH 8-9.5) 2.98 7.28 -7.26 0 3 0 36 244.338 7

Activity (Go SEA)

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