UCSF

ZINC09108941

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 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) 2.47 7.4 -60.83 0 6 -1 79 366.393 5
Lo Low (pH 4.5-6) 2.47 6.58 -17.33 1 6 0 76 367.401 5

Activity (Go SEA)

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