UCSF

ZINC11817908

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 25 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) 3.16 -0.13 -45.79 2 4 1 52 342.369 6
Lo Low (pH 4.5-6) 3.16 0.47 -102.1 3 4 2 53 343.377 6
Lo Low (pH 4.5-6) 3.16 -0.07 -111.2 3 4 2 53 343.377 6
Lo Low (pH 4.5-6) 3.16 0.53 -188.31 4 4 3 54 344.385 6

Activity (Go SEA)

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