UCSF

ZINC45074204

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 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) 1.23 6.03 -33.1 4 4 1 68 235.355 4
Mid Mid (pH 6-8) 1.23 7.07 -6.56 3 4 0 66 234.347 4
Lo Low (pH 4.5-6) 1.23 5.09 -87.06 5 4 2 69 236.363 4

Activity (Go SEA)

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