UCSF

ZINC35663354

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 19 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) 2.42 5.51 -90.72 4 4 2 50 267.417 4
Mid Mid (pH 6-8) 2.61 3.08 -42.72 3 4 1 56 266.409 4

Activity (Go SEA)

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