UCSF

ZINC09345927

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 36 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) 4.87 15.74 -17.9 2 8 0 90 483.572 8
Hi High (pH 8-9.5) 5.05 16.04 -18.84 2 8 0 93 483.572 8

Activity (Go SEA)

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