UCSF

ZINC36359078

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 32 Yes

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) 1.83 2.49 -70.9 1 10 -1 130 431.432 3
Ref Reference (pH 7) 1.64 4.36 -48.72 1 10 -1 127 431.432 3
Lo Low (pH 4.5-6) 1.37 4.36 -23.08 2 10 0 127 432.44 3
Lo Low (pH 4.5-6) 1.19 6.19 -15.59 2 10 0 124 432.44 3

Activity (Go SEA)

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