UCSF

ZINC21646257

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 33 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) 3.35 10.33 -58.45 2 9 1 98 453.567 9
Mid Mid (pH 6-8) 3.35 8.02 -13.42 1 9 0 97 452.559 9

Activity (Go SEA)

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