UCSF

ZINC44825387

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 17 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) 2.15 6.97 -45.41 2 4 1 57 240.371 7
Hi High (pH 8-9.5) 2.34 5.04 -24.17 1 4 0 64 239.363 7

Activity (Go SEA)

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