UCSF

ZINC03830201

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 25 Yes

CAS Number: 745-65-3

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) 3.36 -2.48 -53.83 2 5 -1 97 353.479 13

Activity (Go SEA)

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