UCSF

ZINC37094764

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 3.79 5.79 -39.44 3 2 1 31 229.432 10
Mid Mid (pH 6-8) 3.79 6.99 -26.41 3 2 1 30 229.432 10
Mid Mid (pH 6-8) 3.79 7.46 -115.15 4 2 2 32 230.44 10

Activity (Go SEA)

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