UCSF

ZINC37164652

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 2.44 6.25 -35.85 3 3 1 37 289.443 4
Mid Mid (pH 6-8) 2.44 5.03 -36.12 3 3 1 40 289.443 4
Mid Mid (pH 6-8) 2.44 7.26 -104.77 4 3 2 41 290.451 4

Activity (Go SEA)

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