UCSF

ZINC36129400

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) -1.05 0.68 -20.66 2 7 0 99 277.28 4
Mid Mid (pH 6-8) -0.59 -1.47 -53.56 1 7 -1 103 276.272 4

Activity (Go SEA)

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