UCSF

ZINC24243323

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 22 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) 2.20 6.56 -41.92 2 4 1 37 367.311 5
Hi High (pH 8-9.5) 2.20 4.25 -10.06 1 4 0 36 366.303 5
Mid Mid (pH 6-8) 2.20 6.89 -33.3 2 4 1 37 367.311 5

Activity (Go SEA)

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