UCSF

ZINC19877271

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 21 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) 1.93 3.07 -35.7 2 4 1 31 296.479 4
Hi High (pH 8-9.5) 1.93 3.07 -37.26 2 4 1 31 296.479 4
Mid Mid (pH 6-8) 1.93 5.43 -82.18 3 4 2 32 297.487 4
Mid Mid (pH 6-8) 1.93 5.32 -105.04 3 4 2 32 297.487 4

Activity (Go SEA)

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