UCSF

ZINC12360002

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 27 No

CAS Numbers: 16178-48-6 , 31008-64-7

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) -2.53 -1.8 -254.67 4 15 -3 241 424.179 6
Mid Mid (pH 6-8) -2.53 -2.96 -134.46 5 15 -2 238 425.187 6

Activity (Go SEA)

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