UCSF

ZINC41681484

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 1.29 5.54 -50.88 0 6 -1 78 250.278 2
Mid Mid (pH 6-8) 1.29 5.65 -38.9 1 6 0 80 251.286 2

Activity (Go SEA)

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