UCSF

ZINC70514860

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 1.07 1.15 -38.99 4 5 1 70 297.419 10
Hi High (pH 8-9.5) 1.07 1.11 -4.29 3 5 0 68 296.411 10
Lo Low (pH 4.5-6) 1.07 3.19 -31.64 4 5 1 69 297.419 10

Activity (Go SEA)

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