UCSF

ZINC38415894

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 11 No

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) 0.02 5.24 -120.88 0 4 -2 80 156.137 2
Mid Mid (pH 6-8) 0.02 3.6 -43.29 1 4 -1 77 157.145 2

Activity (Go SEA)

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