UCSF

ZINC44739411

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 22 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) 2.06 4.89 -40.13 2 5 1 46 310.393 7
Mid Mid (pH 6-8) 2.06 2.69 -9.83 1 5 0 45 309.385 7
Mid Mid (pH 6-8) 2.06 4.98 -42.6 2 5 1 46 310.393 7

Activity (Go SEA)

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