UCSF

ZINC42454659

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.36 7.3 -11.7 0 4 0 53 232.312 4
Lo Low (pH 4.5-6) 1.36 7.76 -34.79 1 4 1 54 233.32 4

Activity (Go SEA)

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