UCSF

ZINC19590021

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 19 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) 1.47 5.06 -44.07 2 4 1 37 266.34 4
Mid Mid (pH 6-8) 1.47 4.93 -47.45 2 4 1 37 266.34 4
Mid Mid (pH 6-8) 1.47 2.59 -10.74 1 4 0 36 265.332 4

Activity (Go SEA)

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