UCSF

ZINC42879771

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 0.09 -3.74 -63.65 5 7 1 115 275.306 5
Hi High (pH 8-9.5) 0.09 -5.31 -16.16 4 7 0 111 274.298 5

Activity (Go SEA)

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