UCSF

ZINC33586645

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 37 No

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) 4.37 12.18 -44.68 0 8 -1 101 504.559 12
Lo Low (pH 4.5-6) 4.37 11.05 -21.12 1 8 0 98 505.567 12

Activity (Go SEA)

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