UCSF

ZINC44513642

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 15 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) 0.95 2.92 -100.34 4 4 2 58 248.783 3
Hi High (pH 8-9.5) 0.95 0.71 -46.49 3 4 1 57 247.775 3

Activity (Go SEA)

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