UCSF

ZINC08738050

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 35 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) 5.52 14.28 -68.84 1 6 0 74 519.469 10
Mid Mid (pH 6-8) 4.93 1.83 -50.24 1 6 1 68 520.477 10

Activity (Go SEA)

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