UCSF

ZINC35634125

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 2.00 3.14 -16.17 2 5 0 83 292.36 3
Mid Mid (pH 6-8) 1.82 2.66 -51.09 1 5 -1 81 291.352 4

Activity (Go SEA)

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