UCSF

ZINC33582764

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 33 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) 1.17 7.16 -47.72 0 10 -1 132 451.459 8
Mid Mid (pH 6-8) 1.17 9.48 -69.41 1 10 0 133 452.467 8
Lo Low (pH 4.5-6) 1.17 8.19 -63.61 2 10 1 130 453.475 8

Activity (Go SEA)

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