UCSF

ZINC19685372

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 16 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) 0.14 3.91 -36.97 2 4 1 37 226.344 2
Hi High (pH 8-9.5) 0.14 1.69 -7.97 1 4 0 36 225.336 2
Mid Mid (pH 6-8) 0.14 5.28 -99.3 3 4 2 41 227.352 2

Activity (Go SEA)

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