UCSF

ZINC60992560

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2011 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.56 6.74 -4.32 0 3 0 22 291.313 9
Lo Low (pH 4.5-6) 2.56 7.18 -34.37 1 3 1 23 292.321 9

Activity (Go SEA)

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