UCSF

ZINC33808500

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 39 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) 3.20 10.36 -54.09 0 9 -1 104 536.649 14
Mid Mid (pH 6-8) 3.20 12.68 -74.77 1 9 0 105 537.657 14
Lo Low (pH 4.5-6) 3.20 11.39 -63.37 2 9 1 103 538.665 14

Activity (Go SEA)

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