UCSF

ZINC32119251

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 28 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) 5.84 9.25 -54.67 2 5 -1 77 475.16 5
Mid Mid (pH 6-8) 5.84 8.6 -21.66 3 5 0 74 476.168 5

Activity (Go SEA)

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