UCSF

ZINC03444227

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 21 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) 3.12 7.14 -18.74 1 4 0 55 333.463 5
Hi High (pH 8-9.5) 3.31 5.92 -43.64 0 4 -1 61 332.455 5

Activity (Go SEA)

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