UCSF

ZINC39642417

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 16 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) 2.71 7.11 -9.91 0 3 0 39 215.252 4
Lo Low (pH 4.5-6) 2.71 7.55 -32.18 1 3 1 40 216.26 4

Activity (Go SEA)

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