UCSF

ZINC06858536

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 20 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) 3.42 -5 -8.18 1 5 0 68 377.647 4
Hi High (pH 8-9.5) 3.42 -4.42 -34.49 0 5 -1 70 376.639 4

Activity (Go SEA)

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