UCSF

ZINC59675075

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 11 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) 2.91 6.69 -44.49 0 2 -1 40 157.233 5
Lo Low (pH 4.5-6) 2.91 4.7 -4.44 1 2 0 37 158.241 5

Activity (Go SEA)

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