UCSF

ZINC01155777

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 29 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) 2.66 3.7 -57.71 0 8 -1 97 394.407 5
Lo Low (pH 4.5-6) 2.20 6.18 -14.45 1 8 0 94 395.415 5

Activity (Go SEA)

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