UCSF

ZINC19606565

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 17 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) 1.79 3.68 -40.61 2 3 1 28 300.22 4
Mid Mid (pH 6-8) 1.79 1.29 -5.78 1 3 0 27 299.212 4
Mid Mid (pH 6-8) 1.79 3.9 -32.93 2 3 1 28 300.22 4

Activity (Go SEA)

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