UCSF

ZINC20993174

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 28 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) 4.52 11.42 -28.14 1 4 1 34 371.508 4
Mid Mid (pH 6-8) 4.52 13.74 -85.34 2 4 2 35 372.516 4
Mid Mid (pH 6-8) 4.52 11.12 -9.18 0 4 0 32 370.5 4
Mid Mid (pH 6-8) 4.52 14.41 -42.51 1 4 1 33 371.508 4

Activity (Go SEA)

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