UCSF

ZINC05251642

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 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) 1.53 0.35 -40.53 1 5 -1 78 250.184 2
Mid Mid (pH 6-8) 1.53 -0.99 -13.95 2 5 0 75 251.192 2

Activity (Go SEA)

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