UCSF

ZINC44699444

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 27 Yes

CAS Number: 1217237-98-3

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) 4.36 8.98 -45.55 4 3 1 57 360.477 7
Hi High (pH 8-9.5) 4.36 8.61 -5.88 3 3 0 55 359.469 7

Activity (Go SEA)

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