UCSF

ZINC56871301

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 23 Yes

CAS Number: 482-68-8

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) 2.77 3.92 -42.93 4 4 1 61 311.405 1
Mid Mid (pH 6-8) 2.77 1.64 -7.96 3 4 0 59 310.397 1

Activity (Go SEA)

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