UCSF

ZINC37474397

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 16 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) 0.06 4.72 -55.07 1 6 0 83 227.264 7
Hi High (pH 8-9.5) 0.06 2.32 -50.83 0 6 -1 82 226.256 7

Activity (Go SEA)

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