UCSF

ZINC36127862

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 2.53 7.98 -92.4 4 2 2 32 278.346 5
Hi High (pH 8-9.5) 2.53 5.64 -48.94 3 2 1 31 277.338 5
Hi High (pH 8-9.5) 2.53 7.58 -33.29 3 2 1 30 277.338 5

Activity (Go SEA)

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