UCSF

ZINC34677185

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) 1.15 1.38 -50.42 3 8 1 92 407.466 9
Mid Mid (pH 6-8) 1.15 -0.9 -13.19 2 8 0 91 406.458 9

Activity (Go SEA)

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