UCSF

ZINC19832134

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 21 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) 1.91 7.65 -39.26 1 3 1 21 286.374 4
Mid Mid (pH 6-8) 1.91 7.65 -39.06 1 3 1 21 286.374 4
Mid Mid (pH 6-8) 1.91 5.32 -6.8 0 3 0 19 285.366 4
Lo Low (pH 4.5-6) 1.91 8.09 -84.26 2 3 2 22 287.382 4

Activity (Go SEA)

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