UCSF

ZINC21789809

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 No

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 4.23 -22.81 3 5 0 85 307.4 4
Mid Mid (pH 6-8) 2.00 4.26 -49.23 2 5 -1 87 306.392 4

Activity (Go SEA)

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