UCSF

ZINC22927766

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 19 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) 3.09 8.14 -36.73 1 3 1 21 261.389 7
Hi High (pH 8-9.5) 3.09 5.93 -5.19 0 3 0 20 260.381 7
Mid Mid (pH 6-8) 3.09 8.32 -38.23 1 3 1 21 261.389 7
Mid Mid (pH 6-8) 3.09 10.26 -112.79 2 3 2 22 262.397 7

Activity (Go SEA)

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