UCSF

ZINC34676135

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 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) 3.09 7.66 -36.18 2 3 1 33 265.421 7
Hi High (pH 8-9.5) 3.09 7.4 -2.82 1 3 0 28 264.413 7
Mid Mid (pH 6-8) 3.09 9.9 -114.71 3 3 2 34 266.429 7
Mid Mid (pH 6-8) 3.09 8.47 -33.68 2 3 1 30 265.421 7

Activity (Go SEA)

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