UCSF

ZINC00056794

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 25 Yes

CAS Number: 475-67-2

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) 3.00 8.08 -47.48 2 5 1 52 342.415 3
Mid Mid (pH 6-8) 3.00 5.86 -11.2 1 5 0 51 341.407 3

Activity (Go SEA)

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