UCSF

ZINC33723433

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 36 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) 4.28 13.93 -55.72 1 9 0 120 495.576 13
Lo Low (pH 4.5-6) 4.28 12.8 -59.55 2 9 1 117 496.584 13

Activity (Go SEA)

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