UCSF

ZINC36356839

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 24 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) 3.18 7.97 -12.05 1 4 0 50 325.318 2
Ref Reference (pH 7) 3.00 10.61 -11.78 1 4 0 47 325.318 2
Lo Low (pH 4.5-6) 3.00 11.07 -44.55 2 4 1 48 326.326 2

Activity (Go SEA)

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