UCSF

ZINC36194055

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 Yes

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) -2.48 -0.82 -46.14 5 5 1 80 248.306 1
Mid Mid (pH 6-8) -2.48 -1.14 -7.58 4 5 0 79 247.298 1

Activity (Go SEA)

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