UCSF

ZINC09159710

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 23 Yes

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) 2.01 5.04 -14.01 1 6 0 85 304.309 2
Lo Low (pH 4.5-6) 2.46 5.57 -90.09 3 6 2 87 306.325 1
Lo Low (pH 4.5-6) 2.01 5.49 -45.56 2 6 1 86 305.317 2

Activity (Go SEA)

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