UCSF

ZINC19881978

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 23 No

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) 0.36 5.79 -42.3 1 6 1 48 317.413 3
Ref Reference (pH 7) 0.36 5.84 -42.67 1 6 1 48 317.413 3
Mid Mid (pH 6-8) 0.36 3.48 -11.53 0 6 0 47 316.405 3
Mid Mid (pH 6-8) 0.36 3.41 -11.23 0 6 0 47 316.405 3

Activity (Go SEA)

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