UCSF

ZINC36190490

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 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) 1.51 6.57 -47.34 3 4 1 47 265.406 3
Mid Mid (pH 6-8) 1.51 4.42 -12.11 2 4 0 45 264.398 3

Activity (Go SEA)

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