UCSF

ZINC37823860

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 Yes

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) 1.81 3.53 -47.1 4 4 1 68 275.372 4
Hi High (pH 8-9.5) 1.81 3.33 -7.65 3 4 0 67 274.364 4

Activity (Go SEA)

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