UCSF

ZINC13514103

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 20 Yes

CAS Number: 54397-84-1

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) 4.47 9.04 -46.97 1 3 -1 60 279.4 12

Activity (Go SEA)

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