UCSF

ZINC09041237

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 30 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) 3.74 9.06 -57.73 0 6 -1 79 428.892 8
Lo Low (pH 4.5-6) 3.74 8.09 -14.44 1 6 0 76 429.9 8

Activity (Go SEA)

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