UCSF

ZINC52210101

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 13 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) 1.81 5.74 -36.62 2 3 1 43 186.275 5
Mid Mid (pH 6-8) 1.81 4.49 -3.95 1 3 0 38 185.267 5

Activity (Go SEA)

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