UCSF

ZINC30852736

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 22 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) 2.11 9.31 -91.85 3 4 2 38 305.466 6
Hi High (pH 8-9.5) 2.11 6.78 -48.02 2 4 1 37 304.458 6

Activity (Go SEA)

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