UCSF

ZINC44511690

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 2.42 5.74 -103.23 5 3 2 52 272.392 3
Hi High (pH 8-9.5) 2.42 6.5 -82.04 4 3 1 55 271.384 3

Activity (Go SEA)

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