UCSF

ZINC33808337

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 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) 1.63 7.29 -54.6 0 9 -1 104 492.552 11
Mid Mid (pH 6-8) 1.63 9.62 -69.24 1 9 0 105 493.56 11
Lo Low (pH 4.5-6) 1.63 8.32 -60.71 2 9 1 103 494.568 11

Activity (Go SEA)

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