UCSF

ZINC04261256

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 27 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) 3.13 4.99 -11.34 3 7 0 100 367.405 8
Lo Low (pH 4.5-6) 3.13 5.35 -38.61 4 7 1 102 368.413 8

Activity (Go SEA)

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