UCSF

ZINC36909348

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 3.20 9.2 -44.58 1 3 1 22 287.214 4
Hi High (pH 8-9.5) 3.20 6.73 -6.55 0 3 0 21 286.206 4

Activity (Go SEA)

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