UCSF

ZINC36804963

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 1.27 5.83 -35.96 2 4 1 34 261.34 9
Mid Mid (pH 6-8) 1.27 7.15 -101.21 3 4 2 39 262.348 9
Mid Mid (pH 6-8) 1.27 6.18 -78.78 3 4 2 36 262.348 9
Lo Low (pH 4.5-6) 1.27 7.55 -191.32 4 4 3 40 263.356 9

Activity (Go SEA)

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