UCSF

ZINC09058710

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 19 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) 0.07 0.24 -10.88 2 7 0 91 263.253 2
Mid Mid (pH 6-8) 0.52 -2.34 -51.07 1 7 -1 94 262.245 2

Activity (Go SEA)

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