UCSF

ZINC18201386

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 21 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) 3.68 8.84 -14.91 1 3 0 57 272.307 2
Mid Mid (pH 6-8) 4.14 6.92 -51.8 0 3 -1 60 271.299 2

Activity (Go SEA)

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