UCSF

ZINC36852937

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 0.94 5.49 -51.2 2 5 1 67 263.317 4
Hi High (pH 8-9.5) 0.94 4.21 -11.29 1 5 0 63 262.309 4

Activity (Go SEA)

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