UCSF

ZINC34824927

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 17 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) 2.08 7.26 -38.42 2 4 1 38 239.387 7
Hi High (pH 8-9.5) 2.08 5.89 -4.3 1 4 0 33 238.379 7
Mid Mid (pH 6-8) 2.08 7.4 -92.39 3 4 2 39 240.395 7

Activity (Go SEA)

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