UCSF

ZINC22931681

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 24 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) 3.10 10.44 -35.35 1 3 1 21 324.492 8
Hi High (pH 8-9.5) 3.10 8.03 -4.3 0 3 0 19 323.484 8
Lo Low (pH 4.5-6) 3.10 12.48 -114.47 2 3 2 22 325.5 8
Lo Low (pH 4.5-6) 3.10 10.9 -91.26 2 3 2 22 325.5 8

Activity (Go SEA)

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