UCSF

ZINC29042930

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 38 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) 2.70 7.41 -57.36 2 10 -1 145 517.514 12
Hi High (pH 8-9.5) 2.70 7.26 -111.58 1 10 -2 148 516.506 12

Activity (Go SEA)

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