UCSF

ZINC19879730

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 28 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) 3.62 10.68 -46.64 2 4 1 37 378.54 6
Mid Mid (pH 6-8) 3.62 10.61 -50.35 2 4 1 37 378.54 6
Mid Mid (pH 6-8) 3.62 8.3 -11.04 1 4 0 36 377.532 6

Activity (Go SEA)

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