UCSF

ZINC39359371

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 23 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) 3.36 6.81 -21.07 2 6 0 79 373.21 4
Lo Low (pH 4.5-6) 3.36 7.3 -48.47 3 6 1 81 374.218 4

Activity (Go SEA)

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