UCSF

ZINC08921716

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 29 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) 2.57 9.74 -71.87 1 6 0 78 478.412 7
Mid Mid (pH 6-8) 1.99 9.88 -45.07 1 6 1 72 479.42 7
Mid Mid (pH 6-8) 3.02 9.61 -45.53 2 6 1 75 479.42 6

Activity (Go SEA)

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