UCSF

ZINC22153909

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 Yes

CAS Number: 937630-96-1

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) 0.32 0.52 -12.17 3 5 0 68 249.314 4
Mid Mid (pH 6-8) 0.32 2.86 -47.38 4 5 1 69 250.322 4

Activity (Go SEA)

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