UCSF

ZINC20518996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 24 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) 0.92 5.43 -57.55 3 8 0 120 329.312 5
Ref Reference (pH 7) 0.74 5.66 -58.21 2 8 -1 115 328.304 5
Lo Low (pH 4.5-6) 0.92 3.46 -35.52 4 8 1 117 330.32 5

Activity (Go SEA)

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