UCSF

ZINC12609588

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 26 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) 4.27 6.84 -10.9 1 6 0 73 370.43 5
Ref Reference (pH 7) 4.27 6.41 -10.92 1 6 0 73 370.43 5
Ref Reference (pH 7) 3.78 6.31 -47.04 0 6 -1 72 369.422 6

Activity (Go SEA)

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