UCSF

ZINC08894254

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 34 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) 4.74 11.85 -53.02 0 9 -1 132 474.474 6
Mid Mid (pH 6-8) 5.19 10.82 -30.96 1 9 0 129 475.482 5

Activity (Go SEA)

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