UCSF

ZINC42463601

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.86 4.49 -35.33 3 3 1 40 314.247 5
Lo Low (pH 4.5-6) 1.86 6.12 -111.87 4 3 2 41 315.255 5

Activity (Go SEA)

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