UCSF

ZINC09159660

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 32 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) 5.83 -3.58 -41.13 1 6 1 55 472.704 4
Lo Low (pH 4.5-6) 5.83 -3.4 -78.97 2 6 2 56 473.712 4

Activity (Go SEA)

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