UCSF

ZINC09254157

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 34 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) 3.26 10.95 -17.64 1 8 0 87 475.574 5
Ref Reference (pH 7) 3.32 11.25 -21.78 0 8 0 84 475.574 5
Mid Mid (pH 6-8) 3.32 0.01 -40.49 1 8 1 85 476.582 5

Activity (Go SEA)

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