UCSF

ZINC36364950

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 30 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) 2.34 1.02 -54.93 1 9 -1 118 416.364 5
Ref Reference (pH 7) 2.15 3.77 -50 1 9 -1 114 416.364 5
Lo Low (pH 4.5-6) 1.88 2.9 -15.69 2 9 0 115 417.372 5
Lo Low (pH 4.5-6) 1.69 5.58 -15.19 2 9 0 111 417.372 5

Activity (Go SEA)

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