UCSF

ZINC03215375

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 34 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) 3.07 -2.36 -23.97 2 8 0 102 480.521 6
Hi High (pH 8-9.5) 3.07 -1.87 -64.14 1 8 -1 104 479.513 6

Activity (Go SEA)

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