UCSF

ZINC23071203

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) 0.56 6.29 -103.97 4 3 2 35 263.429 5
Hi High (pH 8-9.5) 0.56 3.99 -43.63 3 3 1 34 262.421 5
Hi High (pH 8-9.5) 0.56 3.19 -2.14 2 3 0 32 261.413 5
Mid Mid (pH 6-8) 0.56 5.5 -31.3 3 3 1 34 262.421 5
Mid Mid (pH 6-8) 0.56 5.91 -131.91 4 3 2 35 263.429 5

Activity (Go SEA)

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