UCSF

ZINC20900982

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) 3.40 6.66 -58.54 2 6 1 66 426.006 8
Hi High (pH 8-9.5) 3.40 4.35 -22.41 1 6 0 65 424.998 8
Mid Mid (pH 6-8) 3.40 6.66 -66.52 2 6 1 66 426.006 8

Activity (Go SEA)

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