UCSF

ZINC62957147

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 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) 1.96 8.8 -34.34 3 2 1 30 275.46 6
Lo Low (pH 4.5-6) 1.96 9.1 -123.66 4 2 2 32 276.468 6

Activity (Go SEA)

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