UCSF

ZINC43417577

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) 1.10 4.94 -43.22 2 3 1 48 199.318 6
Mid Mid (pH 6-8) 1.10 2.9 -6.63 1 3 0 47 198.31 6

Activity (Go SEA)

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