UCSF

ZINC33760821

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 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) 3.12 12.51 -71.17 1 7 0 87 457.53 9
Lo Low (pH 4.5-6) 3.12 11.22 -58.98 2 7 1 84 458.538 9

Activity (Go SEA)

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