UCSF

ZINC20524098

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 20 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) 0.78 5.01 -177.13 5 4 3 40 283.484 4
Hi High (pH 8-9.5) 0.78 2.68 -101.08 4 4 2 39 282.476 4
Hi High (pH 8-9.5) 0.78 1.96 -34.76 3 4 1 37 281.468 4
Mid Mid (pH 6-8) 0.78 0.28 -43.6 3 4 1 37 281.468 4

Activity (Go SEA)

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