UCSF

ZINC35024574

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 30 Yes

CAS Number: 32222-06-3

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) 5.56 7.01 -6.02 3 3 0 61 416.646 6
Ref Reference (pH 7) 5.56 6.82 -6.22 3 3 0 61 416.646 6

Activity (Go SEA)

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