UCSF

ZINC00099184

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 22 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) 3.94 9.41 -54.28 0 4 -1 66 288.282 2
Lo Low (pH 4.5-6) 3.94 9.67 -36.49 1 4 0 67 289.29 2

Activity (Go SEA)

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