UCSF

ZINC62066481

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 25 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) 3.96 4.76 -7.16 1 6 0 62 347.459 6
Mid Mid (pH 6-8) 3.96 8.43 -52.62 2 6 1 63 348.467 6

Activity (Go SEA)

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