UCSF

ZINC44513497

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 19 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) 0.88 3.61 -103.55 4 5 2 71 280.397 4
Hi High (pH 8-9.5) 0.88 1.4 -49.81 3 5 1 70 279.389 4

Activity (Go SEA)

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