UCSF

ZINC23368206

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 20 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) -0.33 4.04 -27.68 2 9 0 105 281.32 4
Hi High (pH 8-9.5) -0.71 2.86 -46.98 1 9 -1 111 280.312 5

Activity (Go SEA)

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