UCSF

ZINC62001280

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 29 No

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) 3.39 8.29 -10.87 0 5 0 56 384.435 3
Lo Low (pH 4.5-6) 3.39 8.76 -43.54 1 5 1 57 385.443 3

Activity (Go SEA)

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