UCSF

ZINC44910620

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) 0.36 0.44 -6.86 0 5 0 51 211.265 2
Mid Mid (pH 6-8) 0.36 2.64 -37.85 1 5 1 53 212.273 2

Activity (Go SEA)

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