UCSF

ZINC41666812

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 4.91 12.3 -13.95 0 6 0 69 435.52 8
Lo Low (pH 4.5-6) 4.91 15.18 -48.81 1 6 1 70 436.528 8

Activity (Go SEA)

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