UCSF

ZINC42770895

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.32 3.09 -46.79 2 5 1 57 278.442 4
Hi High (pH 8-9.5) 1.32 1.91 -8.4 1 5 0 53 277.434 4

Activity (Go SEA)

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