UCSF

ZINC45686938

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) 2.01 6.63 -52.15 2 5 1 61 300.762 7
Hi High (pH 8-9.5) 2.01 5.27 -8.59 1 5 0 57 299.754 7

Activity (Go SEA)

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