UCSF

ZINC25387658

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 34 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) 3.50 11.54 -48.9 2 8 1 93 482.582 8
Hi High (pH 8-9.5) 3.50 9.35 -13.24 1 8 0 92 481.574 8

Activity (Go SEA)

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