UCSF

ZINC34847458

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 5.48 11.86 -9.68 1 6 0 71 514.434 6
Lo Low (pH 4.5-6) 2.01 12.89 -37.39 2 6 1 70 515.442 7

Activity (Go SEA)

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