UCSF

ZINC35816954

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.57 5.48 -11.12 2 6 0 69 368.481 6
Mid Mid (pH 6-8) 2.57 7.94 -44.98 3 6 1 70 369.489 6
Lo Low (pH 4.5-6) 2.57 8.28 -101.84 4 6 2 71 370.497 6

Activity (Go SEA)

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