UCSF

ZINC45686972

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.14 6.76 -51.93 2 5 1 61 345.213 7
Hi High (pH 8-9.5) 2.14 5.39 -8.48 1 5 0 57 344.205 7

Activity (Go SEA)

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