UCSF

ZINC37083070

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) 2.29 5.18 -26.16 3 3 1 34 268.469 5
Hi High (pH 8-9.5) 2.29 5.26 -34.29 3 3 1 34 268.469 5
Mid Mid (pH 6-8) 2.29 7.04 -92.59 4 3 2 35 269.477 5
Mid Mid (pH 6-8) 2.29 5.09 -114.1 4 3 2 35 269.477 5

Activity (Go SEA)

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