UCSF

ZINC27639830

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 29 Yes

CAS Number: 69648-38-0

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) 3.67 9.19 -13.46 2 5 0 84 408.579 14

Activity (Go SEA)

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