UCSF

ZINC42207102

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 17 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) 3.29 7.77 -43.17 2 3 1 43 256.753 6
Hi High (pH 8-9.5) 3.29 6.8 -6.33 1 3 0 38 255.745 6

Activity (Go SEA)

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