UCSF

ZINC37140355

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 0.38 2.65 -100.19 5 5 2 67 284.448 5
Mid Mid (pH 6-8) 0.38 0.34 -40.77 4 5 1 66 283.44 5
Mid Mid (pH 6-8) 0.38 3.77 -87.1 5 5 2 64 284.448 5

Activity (Go SEA)

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