UCSF

ZINC33626622

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 34 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) 2.70 9.25 -22.34 1 9 0 101 490.626 14
Hi High (pH 8-9.5) 2.52 8.18 -62.38 0 9 -1 107 489.618 14

Activity (Go SEA)

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