UCSF

ZINC13786947

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 29 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) 5.01 8.22 -11.74 1 5 0 62 422.579 5
Lo Low (pH 4.5-6) 5.01 8.5 -27.96 2 5 1 63 423.587 5

Activity (Go SEA)

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