UCSF

ZINC40059853

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 19 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) 2.88 4.68 -16.74 1 4 0 51 290.266 4
Hi High (pH 8-9.5) 3.06 3.59 -46.04 0 4 -1 58 289.258 4

Activity (Go SEA)

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