UCSF

ZINC20150343

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 32 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) 3.02 9.6 -8.35 1 7 0 79 435.524 7
Lo Low (pH 4.5-6) 3.02 11.13 -21.03 2 7 0 80 436.532 7
Lo Low (pH 4.5-6) 3.02 10.38 -18.79 2 7 0 80 436.532 7

Activity (Go SEA)

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