UCSF

ZINC09012803

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 30 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) 3.78 14.05 -16.02 1 6 0 69 418.522 4
Mid Mid (pH 6-8) 3.95 14.62 -54.98 2 6 1 74 419.53 4

Activity (Go SEA)

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