UCSF

ZINC04533775

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 20 Yes

CAS Number: 2382-80-1

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) 1.64 0.03 -12.72 2 5 0 71 274.32 6

Activity (Go SEA)

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