UCSF

ZINC37080778

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.13 5.52 -125.02 4 3 2 35 261.413 5
Hi High (pH 8-9.5) 1.13 5.2 -31.43 3 3 1 34 260.405 5
Mid Mid (pH 6-8) 1.13 3.19 -45.38 3 3 1 34 260.405 5
Mid Mid (pH 6-8) 1.13 2.49 -2.07 2 3 0 32 259.397 5
Mid Mid (pH 6-8) 1.13 5.22 -121.39 4 3 2 35 261.413 5
Mid Mid (pH 6-8) 1.13 5.17 -28.2 3 3 1 34 260.405 5

Activity (Go SEA)

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