UCSF

ZINC22931525

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) 1.95 6.54 -31.35 1 5 1 39 330.452 9
Hi High (pH 8-9.5) 1.95 4.41 -7.01 0 5 0 38 329.444 9
Mid Mid (pH 6-8) 1.95 6.84 -38.51 1 5 1 39 330.452 9
Lo Low (pH 4.5-6) 1.95 7.31 -84.64 2 5 2 40 331.46 9

Activity (Go SEA)

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