UCSF

ZINC44647803

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) -0.27 4.01 -44.92 3 6 1 76 238.315 5
Hi High (pH 8-9.5) -0.27 2.66 -12.26 2 6 0 72 237.307 5

Activity (Go SEA)

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