UCSF

ZINC36874401

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 Yes

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) 1.15 0.72 -10.66 3 6 0 77 293.367 4
Lo Low (pH 4.5-6) 1.15 2.98 -40.29 4 6 1 78 294.375 4

Activity (Go SEA)

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