UCSF

ZINC48716742

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 25 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) 1.36 6.27 -47.38 3 5 1 62 339.463 6
Hi High (pH 8-9.5) 1.36 7.34 -41.24 3 5 1 58 339.463 6
Mid Mid (pH 6-8) 1.36 6.3 -91.16 4 5 2 63 340.471 6

Activity (Go SEA)

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