UCSF

ZINC20423511

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 1.43 5.84 -54.35 0 5 -1 64 289.355 5
Mid Mid (pH 6-8) 1.43 8.23 -86.77 1 5 0 65 290.363 5

Activity (Go SEA)

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