UCSF

ZINC20491614

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 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) 1.37 3.38 -13.86 0 6 0 67 312.391 5
Mid Mid (pH 6-8) 1.37 5.77 -56.32 1 6 1 68 313.399 5

Activity (Go SEA)

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