UCSF

ZINC21808381

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 1.89 -0.85 -20.91 4 6 0 109 326.761 3
Mid Mid (pH 6-8) 1.89 -0.19 -50.76 3 6 -1 112 325.753 3

Activity (Go SEA)

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