UCSF

ZINC20486560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 15 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) 1.48 5.73 -107.06 5 3 2 56 207.321 6
Mid Mid (pH 6-8) -1.43 5.67 -28.36 5 3 1 56 206.313 6

Activity (Go SEA)

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