UCSF

ZINC03461553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 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) 4.07 9.83 -41.06 2 3 1 35 328.476 10
Hi High (pH 8-9.5) 4.07 8.42 -5.91 1 3 0 30 327.468 10

Activity (Go SEA)

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