UCSF

ZINC19681420

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 2.21 5.4 -53.34 3 4 1 59 296.322 2
Mid Mid (pH 6-8) 2.28 4.23 -56.96 2 4 0 65 295.314 2
Mid Mid (pH 6-8) 2.22 3.7 -13.03 2 4 0 54 295.314 2

Activity (Go SEA)

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