UCSF

ZINC37854766

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.07 2.99 -47.08 3 4 1 49 334.267 7
Hi High (pH 8-9.5) 2.07 1.57 -5.02 2 4 0 45 333.259 7
Mid Mid (pH 6-8) 2.07 5.31 -112.64 4 4 2 51 335.275 7

Activity (Go SEA)

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