UCSF

ZINC38570092

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 37 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) -0.68 7.74 -62.04 4 11 -1 173 509.539 10
Hi High (pH 8-9.5) -0.23 6.02 -108.95 3 11 -2 177 508.531 10

Activity (Go SEA)

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