UCSF

ZINC36657653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 19 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) 1.95 4.05 -49.91 3 4 1 47 297.835 3
Lo Low (pH 4.5-6) 1.95 6.26 -131.1 4 4 2 48 298.843 3

Activity (Go SEA)

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