UCSF

ZINC52572276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 16 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) 1.29 2.8 -42.16 2 4 1 38 233.376 10
Hi High (pH 8-9.5) 1.29 1.44 -2.73 1 4 0 34 232.368 10
Lo Low (pH 4.5-6) 1.29 3.91 -96.59 3 4 2 40 234.384 10

Activity (Go SEA)

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