UCSF

ZINC37109660

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) 2.47 3.02 -39.91 3 2 1 31 201.378 7
Mid Mid (pH 6-8) 2.47 5.73 -115.09 4 2 2 32 202.386 7
Mid Mid (pH 6-8) 2.47 5.44 -25.52 3 2 1 30 201.378 7

Activity (Go SEA)

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