UCSF

ZINC06732453

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 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) 2.96 -0.22 -13.94 1 7 0 89 407.422 7
Mid Mid (pH 6-8) 2.38 -0.37 -18.72 0 7 0 86 407.422 7

Activity (Go SEA)

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