UCSF

ZINC33583442

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 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) 1.75 4.75 -50.9 2 10 -1 134 522.578 11
Mid Mid (pH 6-8) 1.75 7.15 -70.8 3 10 0 136 523.586 11
Lo Low (pH 4.5-6) 1.75 6.02 -69.32 4 10 1 133 524.594 11

Activity (Go SEA)

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