UCSF

ZINC22059581

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 11 Yes

CAS Number: 70824-86-1

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) 1.28 4.11 -42.28 3 1 1 28 154.208 3
Hi High (pH 8-9.5) 1.28 3.79 -2.72 2 1 0 26 153.2 3

Activity (Go SEA)

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