UCSF

ZINC36889714

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 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) 3.78 11.03 -18.06 0 3 0 43 262.349 8
Hi High (pH 8-9.5) 4.53 9.95 -58.04 0 3 -1 49 261.341 7

Activity (Go SEA)

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