UCSF

ZINC38524954

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 15 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) 1.76 6.14 -46.04 3 3 1 54 234.385 9
Mid Mid (pH 6-8) 1.76 5.83 -4.34 2 3 0 52 233.377 9

Activity (Go SEA)

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