UCSF

ZINC04172011

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 23 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) 2.44 3.31 -39.15 0 5 -1 65 311.292 2
Lo Low (pH 4.5-6) 2.25 5.83 -8.75 1 5 0 59 312.3 2

Activity (Go SEA)

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