UCSF

ZINC45655365

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 1.72 4.69 -30.57 2 3 1 20 240.415 4
Hi High (pH 8-9.5) 1.72 5.71 -108.92 3 3 2 24 241.423 4
Hi High (pH 8-9.5) 1.72 4.54 -32.62 2 3 1 20 240.415 4
Mid Mid (pH 6-8) 1.72 6.93 -77.21 3 3 2 21 241.423 4

Activity (Go SEA)

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