UCSF

ZINC13736548

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 18 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) 1.22 3.09 -38.42 3 4 1 46 253.366 9
Mid Mid (pH 6-8) 1.22 1.96 -45.76 3 4 1 49 253.366 9

Activity (Go SEA)

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