UCSF

ZINC33768584

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 39 No

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) 4.08 14.28 -76.28 1 8 0 93 530.621 12
Hi High (pH 8-9.5) 4.08 11.74 -57.8 0 8 -1 91 529.613 12
Lo Low (pH 4.5-6) 4.08 12.98 -64.02 2 8 1 90 531.629 12

Activity (Go SEA)

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