UCSF

ZINC37095897

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 2.07 4.23 -27.14 3 3 1 34 256.458 7
Hi High (pH 8-9.5) 2.07 5.3 -34.5 3 3 1 34 256.458 7
Mid Mid (pH 6-8) 2.07 7.22 -92.82 4 3 2 35 257.466 7
Mid Mid (pH 6-8) 2.07 4.57 -115.89 4 3 2 35 257.466 7

Activity (Go SEA)

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