UCSF

ZINC39972320

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 30 No

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) 0.96 4.27 -18.9 2 9 0 102 421.542 5
Mid Mid (pH 6-8) 0.96 6.41 -53.13 3 9 1 103 422.55 5

Activity (Go SEA)

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