UCSF

ZINC37024427

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 3.51 7.76 -49.99 0 5 -1 67 293.73 4
Lo Low (pH 4.5-6) 3.51 7.87 -40.92 1 5 0 68 294.738 4

Activity (Go SEA)

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