UCSF

ZINC19589322

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 26 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) 2.91 9.36 -50.66 1 4 1 28 356.465 4
Hi High (pH 8-9.5) 2.91 7.18 -7.68 0 4 0 27 355.457 4
Mid Mid (pH 6-8) 2.91 11.75 -104.72 2 4 2 29 357.473 4

Activity (Go SEA)

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