UCSF

ZINC33985877

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 17 No

CAS Number: [3650-43-9]

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) 3.66 8.98 -47.16 0 2 -1 40 233.331 2
Lo Low (pH 4.5-6) 3.66 7.18 -4.98 1 2 0 37 234.339 2

Activity (Go SEA)

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