UCSF

ZINC37098084

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) 1.64 5.75 -112.33 4 3 2 35 263.429 6
Hi High (pH 8-9.5) 1.64 4.95 -35.02 3 3 1 34 262.421 6
Mid Mid (pH 6-8) 1.64 5.11 -122.7 4 3 2 35 263.429 6
Mid Mid (pH 6-8) 1.64 4.62 -30.89 3 3 1 34 262.421 6
Mid Mid (pH 6-8) 1.64 3.31 -43.01 3 3 1 34 262.421 6
Mid Mid (pH 6-8) 1.64 2.5 -1.88 2 3 0 32 261.413 6

Activity (Go SEA)

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