UCSF

ZINC40176308

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 15 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) 1.80 3.9 -33.54 3 4 0 80 206.176 1
Mid Mid (pH 6-8) 1.80 3.51 -61.86 2 4 -1 79 205.168 1

Activity (Go SEA)

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