UCSF

ZINC42797148

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 25 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) 3.23 7.52 -51.67 2 5 1 54 350.41 8
Hi High (pH 8-9.5) 3.23 6.37 -9.59 1 5 0 49 349.402 8

Activity (Go SEA)

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