UCSF

ZINC37079087

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 1.27 4.64 -11.83 2 3 0 42 195.291 3
Lo Low (pH 4.5-6) 1.27 5.1 -39.8 3 3 1 43 196.299 3

Activity (Go SEA)

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