UCSF

ZINC42410621

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 16 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) 1.34 4.68 -49.16 2 4 1 56 239.682 3
Hi High (pH 8-9.5) 1.34 3.24 -7.08 1 4 0 51 238.674 3

Activity (Go SEA)

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