UCSF

ZINC11858321

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2008 26 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) 1.62 2.08 -26.78 1 8 0 110 396.446 5
Hi High (pH 8-9.5) 1.62 2.15 -67.11 0 8 -1 112 395.438 5

Activity (Go SEA)

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