UCSF

ZINC08655779

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2007 31 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) 3.00 12.11 -22.06 1 8 0 98 417.445 5
Mid Mid (pH 6-8) 3.00 13.27 -26.33 0 8 0 95 416.437 5

Activity (Go SEA)

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