UCSF

ZINC03213995

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 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) 6.63 13 -10.31 1 3 0 42 425.34 4
Hi High (pH 8-9.5) 6.70 12.08 -39.15 0 3 -1 48 424.332 4

Activity (Go SEA)

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