UCSF

ZINC31965700

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.84 4.34 -56.06 2 7 -1 111 326.398 10
Lo Low (pH 4.5-6) 0.84 3.22 -18.63 3 7 0 108 327.406 10

Activity (Go SEA)

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