UCSF

ZINC33667301

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 1.57 2.2 -43.06 3 3 1 40 221.324 2
Hi High (pH 8-9.5) 1.57 0.8 -5.92 2 3 0 35 220.316 2

Activity (Go SEA)

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