UCSF

ZINC23359304

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 36 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) 6.02 12.42 -39.51 3 6 1 66 568.978 11
Hi High (pH 8-9.5) 6.02 9.64 -11.53 2 6 0 65 567.97 11

Activity (Go SEA)

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