UCSF

ZINC34651213

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 18 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) -0.11 2.18 -50.61 2 5 1 49 256.37 2
Mid Mid (pH 6-8) -0.11 0.89 -8.13 1 5 0 45 255.362 2
Lo Low (pH 4.5-6) -0.11 4.01 -97.92 3 5 2 51 257.378 2

Activity (Go SEA)

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