UCSF

ZINC55099619

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 23 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) 2.10 2.93 -11.25 2 7 0 88 319.361 7
Hi High (pH 8-9.5) 2.28 0.28 -44.37 1 7 -1 94 318.353 7

Activity (Go SEA)

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