UCSF

ZINC43409687

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.83 7.44 -106.56 4 4 2 58 284.407 4
Mid Mid (pH 6-8) 1.83 7.03 -54.13 3 4 1 57 283.399 4
Lo Low (pH 4.5-6) 1.83 7.9 -180.93 5 4 3 59 285.415 4

Activity (Go SEA)

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