UCSF

ZINC50065051

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 17 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) 0.49 4.86 -43.72 1 6 1 70 242.299 8
Hi High (pH 8-9.5) 0.49 2.52 -11.77 0 6 0 68 241.291 8

Activity (Go SEA)

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