UCSF

ZINC23067686

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 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) 0.65 6.97 -101.87 4 3 2 35 263.429 5
Hi High (pH 8-9.5) 0.65 4.22 -1.95 2 3 0 32 261.413 5
Mid Mid (pH 6-8) 0.65 6.18 -33.87 3 3 1 34 262.421 5
Mid Mid (pH 6-8) 0.65 4.5 -43.76 3 3 1 34 262.421 5

Activity (Go SEA)

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