UCSF

ZINC37319706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.71 7.11 -115.68 3 3 2 24 309.42 6
Mid Mid (pH 6-8) 2.71 5.32 -39.46 2 3 1 23 308.412 6
Mid Mid (pH 6-8) 2.71 6.23 -37.2 2 3 1 20 308.412 6
Mid Mid (pH 6-8) 2.71 8.38 -92.19 3 3 2 21 309.42 6

Activity (Go SEA)

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