UCSF

ZINC33763480

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 37 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) 3.47 8.97 -51.22 1 9 -1 125 516.555 8
Lo Low (pH 4.5-6) 3.47 7.68 -21.25 2 9 0 122 517.563 8

Activity (Go SEA)

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