UCSF

ZINC34677033

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 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) -0.05 -1.95 -46.84 3 9 1 96 410.539 9
Mid Mid (pH 6-8) -0.05 0.32 -97.05 4 9 2 97 411.547 9
Mid Mid (pH 6-8) -0.05 -4.22 -10.32 2 9 0 94 409.531 9

Activity (Go SEA)

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