UCSF

ZINC36705103

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 36 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) 5.86 12.39 -15.94 0 6 0 63 520.054 8
Lo Low (pH 4.5-6) 5.86 14.66 -62.62 1 6 1 64 521.062 8

Activity (Go SEA)

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