UCSF

ZINC37008103

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 2.54 5.03 -47.39 3 4 1 59 264.736 3
Hi High (pH 8-9.5) 2.54 3.6 -11.21 2 4 0 54 263.728 3

Activity (Go SEA)

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