UCSF

ZINC41212497

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 15 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) 1.71 6.81 -50.06 0 3 -1 49 203.217 2
Lo Low (pH 4.5-6) 1.71 4.76 -6.71 1 3 0 47 204.225 2

Activity (Go SEA)

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