UCSF

ZINC52300100

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 0.98 2.54 -55.46 4 4 1 74 265.358 3
Hi High (pH 8-9.5) 0.98 2.13 -9.53 3 4 0 72 264.35 3

Activity (Go SEA)

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