UCSF

ZINC21501052

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 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) 1.82 3.14 -66.35 2 6 0 91 341.216 6
Hi High (pH 8-9.5) 1.82 0.61 -54.35 1 6 -1 90 340.208 6
Hi High (pH 8-9.5) 1.82 2.73 -77.39 1 6 -1 93 340.208 6

Activity (Go SEA)

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