UCSF

ZINC33576265

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 29 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) 2.24 4.53 -14.95 3 7 0 98 394.475 5
Mid Mid (pH 6-8) 2.24 4.98 -40.6 4 7 1 100 395.483 5

Activity (Go SEA)

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