UCSF

ZINC53155609

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 5.05 10.64 -49.15 2 1 1 17 292.805 4
Hi High (pH 8-9.5) 5.05 9.48 -4.4 1 1 0 12 291.797 4

Activity (Go SEA)

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