UCSF

ZINC00466231

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 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) 2.82 6.33 -19.81 2 5 0 67 326.396 6
Mid Mid (pH 6-8) 3.07 2.81 -33.43 3 5 1 76 327.404 6

Activity (Go SEA)

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