UCSF

ZINC46058447

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 25 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) 2.44 8.47 -37.04 1 5 1 37 346.495 6
Hi High (pH 8-9.5) 2.44 6.28 -9.57 0 5 0 36 345.487 6

Activity (Go SEA)

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