UCSF

ZINC23017913

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 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) 1.70 5.6 -42.7 2 5 1 50 295.432 3
Mid Mid (pH 6-8) 1.52 4.78 -36.4 1 5 0 56 294.424 3
Mid Mid (pH 6-8) 2.26 4.36 -30.24 2 5 1 53 295.432 2
Mid Mid (pH 6-8) 1.70 3.22 -14.11 1 5 0 48 294.424 3

Activity (Go SEA)

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