UCSF

ZINC21503854

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 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) 1.88 2.58 -46.09 4 5 1 77 306.839 7
Hi High (pH 8-9.5) 1.88 0.27 -9.76 3 5 0 75 305.831 7

Activity (Go SEA)

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