UCSF

ZINC59345201

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 15 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) -1.98 -3.15 -15.81 3 7 0 105 221.209 10
Lo Low (pH 4.5-6) -1.98 -1.81 -49.91 4 7 1 110 222.217 10

Activity (Go SEA)

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