UCSF

ZINC38003908

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 16 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) 1.79 4.53 -10.11 1 4 0 59 215.256 2
Lo Low (pH 4.5-6) 1.79 4.99 -45.93 2 4 1 60 216.264 2

Activity (Go SEA)

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