UCSF

ZINC02060967

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 25 No

Other Names:

MFCD02042492

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) 3.14 9.33 -53.23 0 7 -1 106 345.375 8
Lo Low (pH 4.5-6) 3.14 8.38 -10.9 1 7 0 103 346.383 8

Activity (Go SEA)

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