UCSF

ZINC43413563

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) 1.94 7.82 -43.22 1 5 -1 78 262.333 5
Mid Mid (pH 6-8) 1.94 8.26 -49.62 2 5 0 79 263.341 5
Lo Low (pH 4.5-6) 1.94 6.28 -31.06 3 5 1 76 264.349 5

Activity (Go SEA)

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