UCSF

ZINC20518994

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 4.17 -52.89 3 8 0 120 329.312 5
Ref Reference (pH 7) 0.74 6.58 -61.53 2 8 -1 115 328.304 5
Lo Low (pH 4.5-6) 0.92 2.2 -33.27 4 8 1 117 330.32 5

Activity (Go SEA)

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