UCSF

ZINC33526019

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 32 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) 3.52 9.9 -64.45 1 6 -1 90 428.464 7
Lo Low (pH 4.5-6) 3.52 8.6 -24.54 2 6 0 87 429.472 7

Activity (Go SEA)

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