UCSF

ZINC37817280

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.60 6.14 -44.17 2 4 1 40 308.833 3
Hi High (pH 8-9.5) 1.60 4.78 -9.42 1 4 0 36 307.825 3

Activity (Go SEA)

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