UCSF

ZINC19537361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 22 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) 3.47 10.37 -39.68 1 2 1 8 313.49 5
Mid Mid (pH 6-8) 3.47 10.43 -38.82 1 2 1 8 313.49 5
Mid Mid (pH 6-8) 3.47 8.05 -4.17 0 2 0 6 312.482 5

Activity (Go SEA)

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