UCSF

ZINC37073338

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.10 10.54 -58.71 2 2 1 40 315.849 3
Mid Mid (pH 6-8) 3.10 9.34 -7.03 1 2 0 36 314.841 3

Activity (Go SEA)

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