UCSF

ZINC21670712

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 25 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 9.83 -15.31 0 5 0 41 334.423 3
Mid Mid (pH 6-8) 2.27 10.25 -35.45 1 5 1 42 335.431 3
Lo Low (pH 4.5-6) 2.27 11.59 -104.71 2 5 2 43 336.439 3

Activity (Go SEA)

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