UCSF

ZINC31846474

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 31 No

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) 3.23 12.94 -16.21 0 6 0 63 435.911 7
Lo Low (pH 4.5-6) 3.23 13.29 -45.12 1 6 1 64 436.919 7

Activity (Go SEA)

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