UCSF

ZINC23385435

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 17 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) 1.90 4.65 -43.38 1 4 1 42 320.232 2
Mid Mid (pH 6-8) 1.90 2.24 -8.5 0 4 0 41 319.224 2

Activity (Go SEA)

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