UCSF

ZINC01210718

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 28 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) 3.60 8.15 -53.99 0 6 -1 88 389.412 4
Lo Low (pH 4.5-6) 3.15 10.61 -12.94 1 6 0 85 390.42 4

Activity (Go SEA)

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