UCSF

ZINC36877584

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 1.20 6.38 -46.46 4 3 1 56 262.352 4
Hi High (pH 8-9.5) 1.20 6.1 -5.68 3 3 0 55 261.344 4
Hi High (pH 8-9.5) 1.20 6.13 -29.94 4 3 1 56 262.352 4
Mid Mid (pH 6-8) 1.20 6.45 -118.37 5 3 2 58 263.36 4

Activity (Go SEA)

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