UCSF

ZINC30690459

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 31 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) 1.40 3.09 -151.02 4 10 -1 156 503.962 9
Mid Mid (pH 6-8) 1.40 1.9 -71.02 5 10 0 153 504.97 9

Activity (Go SEA)

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