UCSF

ZINC36329867

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 31 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) 1.34 4.79 -11.25 1 11 0 128 431.449 5
Mid Mid (pH 6-8) 0.65 4.63 -52.54 1 11 0 136 431.449 5
Mid Mid (pH 6-8) 0.09 2.28 -42.39 0 11 -1 134 430.441 5

Activity (Go SEA)

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