UCSF

ZINC31942114

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 29 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) 3.78 11.93 -14.73 0 4 0 46 379.463 3
Lo Low (pH 4.5-6) 3.78 12.37 -43.48 1 4 1 47 380.471 3

Activity (Go SEA)

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