UCSF

ZINC33812923

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 38 No

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) 2.44 6.65 -58.28 1 10 -1 124 522.578 11
Mid Mid (pH 6-8) 2.44 10.09 -57.65 2 10 0 125 523.586 11
Lo Low (pH 4.5-6) 2.44 8.96 -61.45 3 10 1 123 524.594 11

Activity (Go SEA)

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