UCSF

ZINC42739587

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 3.47 7.62 -6.8 2 3 0 42 257.381 3
Mid Mid (pH 6-8) 3.47 7.96 -23.21 3 3 1 43 258.389 3

Activity (Go SEA)

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