UCSF

ZINC34824274

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 16 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) 1.87 6.56 -43.6 2 3 1 33 216.308 3
Hi High (pH 8-9.5) 1.87 5.43 -6.81 1 3 0 28 215.3 3
Mid Mid (pH 6-8) 1.87 6.94 -90.6 3 3 2 34 217.316 3

Activity (Go SEA)

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