UCSF

ZINC12231647

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 32 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) 4.34 3.99 -10.89 0 8 0 80 438.507 6
Mid Mid (pH 6-8) 4.34 4.15 -31.74 1 8 1 81 439.515 6

Activity (Go SEA)

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