UCSF

ZINC37101340

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.85 8.78 -28.75 2 2 1 26 249.337 3
Mid Mid (pH 6-8) 3.85 8.43 -6.7 1 2 0 25 248.329 3

Activity (Go SEA)

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