UCSF

ZINC23249140

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 24 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) 2.11 5.9 -43.6 3 4 1 51 328.411 5
Mid Mid (pH 6-8) 2.11 5.93 -37.31 3 4 1 51 328.411 5
Mid Mid (pH 6-8) 2.11 3.61 -9.51 2 4 0 50 327.403 5

Activity (Go SEA)

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