UCSF

ZINC37098091

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 2.97 4.51 -38.63 3 2 1 31 201.378 9
Mid Mid (pH 6-8) 2.97 5.99 -30.32 3 2 1 30 201.378 9
Mid Mid (pH 6-8) 2.97 6.76 -117.54 4 2 2 32 202.386 9

Activity (Go SEA)

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