UCSF

ZINC08681447

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2007 26 Yes

CAS Number: [549-84-8]

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) 3.22 -1.14 -44.82 3 5 1 66 355.458 2

Activity (Go SEA)

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