UCSF

ZINC34676696

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 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) 2.96 14.58 -43.27 1 7 1 57 441.987 3
Mid Mid (pH 6-8) 2.96 12.43 -32.55 1 7 1 57 441.987 3
Mid Mid (pH 6-8) 2.96 12.23 -10.66 0 7 0 56 440.979 3
Mid Mid (pH 6-8) 2.96 14.76 -96.63 2 7 2 58 442.995 3

Activity (Go SEA)

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