UCSF

ZINC41475352

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 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) 2.14 6.93 -8.59 0 7 0 66 333.388 4
Lo Low (pH 4.5-6) 2.14 7.43 -31.07 1 7 1 67 334.396 4

Activity (Go SEA)

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