UCSF

ZINC37859127

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 20 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) 0.04 -2.61 -12.49 2 7 0 92 321.424 6
Mid Mid (pH 6-8) 0.50 -4.91 -42.08 1 7 -1 95 320.416 6
Mid Mid (pH 6-8) 0.04 -0.33 -49.13 3 7 1 93 322.432 6

Activity (Go SEA)

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