UCSF

ZINC45663840

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.50 7.89 -100.09 3 5 2 52 275.4 8
Hi High (pH 8-9.5) 1.50 6.55 -39.15 2 5 1 47 274.392 8

Activity (Go SEA)

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