UCSF

ZINC44649845

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) -0.72 0.79 -56.56 4 7 1 93 254.314 7
Hi High (pH 8-9.5) -0.72 -0.56 -23.15 3 7 0 88 253.306 7

Activity (Go SEA)

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