UCSF

ZINC36190403

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) -0.59 1.59 -16.69 2 4 0 50 229.349 3
Mid Mid (pH 6-8) -0.59 3.96 -50.7 3 4 1 51 230.357 3

Activity (Go SEA)

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