UCSF

ZINC05116499

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 24 Yes

CAS Number: 59468-85-8

Other Names:

MFCD00871459

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) 2.61 5.16 -32.8 2 4 1 52 342.781 1
Mid Mid (pH 6-8) 2.61 4.7 -12.04 1 4 0 50 341.773 1

Activity (Go SEA)

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