UCSF

ZINC13521847

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 21 Yes

CAS Number: 58-60-6

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) -1.68 -3.82 -52.99 5 9 1 124 295.323 3

Activity (Go SEA)

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