UCSF

ZINC06156990

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2006 37 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) 0.49 0.67 -12.18 5 11 0 163 524.603 10
Lo Low (pH 4.5-6) 0.49 0.97 -51.2 6 11 1 164 525.611 10

Activity (Go SEA)

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