UCSF

ZINC37977194

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 15 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) 1.88 5.88 -33.56 2 2 1 16 225.381 4
Mid Mid (pH 6-8) 1.88 4.83 -38.98 2 2 1 20 225.381 4
Lo Low (pH 4.5-6) 1.88 7.07 -104.91 3 2 2 21 226.389 4

Activity (Go SEA)

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