UCSF

ZINC33587884

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 36 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) 2.74 11.26 -32.84 0 11 -1 158 505.488 9
Lo Low (pH 4.5-6) 2.74 10.13 -23.23 1 11 0 156 506.496 9

Activity (Go SEA)

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