UCSF

ZINC45685741

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 2.04 7.5 -51.38 2 5 1 61 294.371 7
Hi High (pH 8-9.5) 2.04 6.38 -8.68 1 5 0 57 293.363 7

Activity (Go SEA)

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