UCSF

ZINC40549408

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 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) 2.27 5.29 -8.71 0 4 0 30 279.771 2
Mid Mid (pH 6-8) 2.27 5.45 -30.86 1 4 1 32 280.779 2
Lo Low (pH 4.5-6) 2.27 7.54 -44.24 1 4 1 31 280.779 2

Activity (Go SEA)

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