UCSF

ZINC36136293

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) -1.92 4.61 -18.11 2 5 0 67 275.352 3
Mid Mid (pH 6-8) -1.92 4.96 -49.29 3 5 1 68 276.36 3

Activity (Go SEA)

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