UCSF

ZINC39849609

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 27 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) 1.34 8.59 -72.15 1 7 0 91 370.405 7
Lo Low (pH 4.5-6) 1.34 7.71 -46.53 2 7 1 88 371.413 7

Activity (Go SEA)

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