UCSF

ZINC19984410

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 18 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) 4.12 7.22 -40.32 2 2 1 20 290.258 7
Hi High (pH 8-9.5) 4.12 6.25 -1.16 1 2 0 15 289.25 7
Mid Mid (pH 6-8) 4.12 8.28 -33.87 2 2 1 16 290.258 7
Mid Mid (pH 6-8) 4.12 9.49 -114.07 3 2 2 21 291.266 7

Activity (Go SEA)

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