UCSF

ZINC43401302

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.30 3.29 -34.43 5 5 1 88 263.365 5
Mid Mid (pH 6-8) 0.30 3.53 -6.59 4 5 0 86 262.357 5
Lo Low (pH 4.5-6) 0.30 3.75 -86.93 6 5 2 89 264.373 5

Activity (Go SEA)

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