UCSF

ZINC57305020

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 32 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) 4.39 12.98 -75.59 4 5 0 50 448.636 6
Hi High (pH 8-9.5) 4.39 10.74 -22.3 3 5 0 49 447.628 6
Hi High (pH 8-9.5) 4.39 10.64 -13.05 2 5 0 48 446.62 6

Activity (Go SEA)

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