UCSF

ZINC44610089

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 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) 0.51 6.15 -45.59 0 8 -1 99 275.292 4
Lo Low (pH 4.5-6) 0.51 4.17 -12.41 1 8 0 97 276.3 4

Activity (Go SEA)

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