UCSF

ZINC09360095

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 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) 5.65 2.37 -42.76 1 5 1 52 429.54 7
Lo Low (pH 4.5-6) 5.65 2.47 -100.42 2 5 2 54 430.548 7

Activity (Go SEA)

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