UCSF

ZINC36776532

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 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) 2.04 8.55 -81.32 1 5 0 67 286.331 7
Hi High (pH 8-9.5) 2.04 6.23 -51.76 0 5 -1 65 285.323 7

Activity (Go SEA)

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