UCSF

ZINC45647253

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 1.10 3.14 -40.15 3 4 1 55 239.339 4
Hi High (pH 8-9.5) 1.10 1.92 -10.52 2 4 0 50 238.331 4

Activity (Go SEA)

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