UCSF

ZINC37989376

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 0.31 6.85 -49 1 5 1 45 294.35 3
Hi High (pH 8-9.5) 0.31 4.45 -13.7 0 5 0 44 293.342 3

Activity (Go SEA)

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