UCSF

ZINC37793367

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) 1.31 7.34 -61.06 2 6 0 87 285.303 4
Hi High (pH 8-9.5) 1.31 6.88 -64.07 1 6 -1 85 284.295 4

Activity (Go SEA)

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