UCSF

ZINC37060664

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 1.96 6.07 -12.44 1 5 0 71 247.229 4
Lo Low (pH 4.5-6) 1.96 6.53 -48.1 2 5 1 72 248.237 4

Activity (Go SEA)

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