UCSF

ZINC42410644

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) 0.61 5.39 -42.4 2 4 1 56 316.15 4
Hi High (pH 8-9.5) 0.61 4.04 -5.34 1 4 0 51 315.142 4

Activity (Go SEA)

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