UCSF

ZINC37025390

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 1.87 1.83 -46.54 3 5 1 64 261.248 6
Hi High (pH 8-9.5) 1.87 0.4 -11.87 2 5 0 60 260.24 6

Activity (Go SEA)

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