UCSF

ZINC29758596

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2009 34 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) 3.71 9.24 -14.07 1 7 0 69 460.578 7
Lo Low (pH 4.5-6) 3.71 11.35 -45.25 2 7 1 70 461.586 7

Activity (Go SEA)

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