UCSF

ZINC33813976

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 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) 1.98 9.49 -50.26 0 10 -1 122 490.521 6
Lo Low (pH 4.5-6) 1.98 8.36 -26.62 1 10 0 119 491.529 6

Activity (Go SEA)

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