UCSF

ZINC13548985

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 24 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) 1.32 4.73 -31.76 1 7 0 92 366.468 4
Hi High (pH 8-9.5) 1.51 3.67 -61.91 0 7 -1 99 365.46 4

Activity (Go SEA)

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