UCSF

ZINC62867942

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2011 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) 2.11 6.8 -83.31 3 3 2 24 269.477 5
Mid Mid (pH 6-8) 2.11 6.31 -105.01 3 3 2 24 269.477 5
Mid Mid (pH 6-8) 2.11 4.51 -37.29 2 3 1 23 268.469 5
Lo Low (pH 4.5-6) 2.11 8.68 -188.66 4 3 3 25 270.485 5

Activity (Go SEA)

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