UCSF

ZINC36354163

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 28 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) 1.45 -1.63 -52.72 2 9 -1 129 380.384 4
Ref Reference (pH 7) 1.27 1.11 -48 2 9 -1 125 380.384 4
Lo Low (pH 4.5-6) 1.00 0.26 -13.05 3 9 0 126 381.392 4
Lo Low (pH 4.5-6) 0.81 2.93 -12.66 3 9 0 122 381.392 4

Activity (Go SEA)

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