UCSF

ZINC13720866

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 28 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) 2.88 3.34 -22.26 1 8 0 110 489.369 5
Hi High (pH 8-9.5) 2.88 3.43 -61.62 0 8 -1 112 488.361 5

Activity (Go SEA)

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