UCSF

ZINC44280411

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 42 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) 5.53 13.81 -71.86 3 9 0 119 565.722 10
Lo Low (pH 4.5-6) 5.53 13.89 -48.04 4 9 1 120 566.73 10

Activity (Go SEA)

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