UCSF

ZINC03326241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 32 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) 0.90 -4.43 -26.03 1 9 0 102 456.524 5
Hi High (pH 8-9.5) 0.90 -3.88 -59.36 0 9 -1 104 455.516 5

Activity (Go SEA)

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