UCSF

ZINC44417725

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 36 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) 7.35 18.7 -187.4 1 8 -3 149 510.692 26
Lo Low (pH 4.5-6) 7.35 16.72 -111.64 2 8 -2 147 511.7 26

Activity (Go SEA)

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