UCSF

ZINC39696914

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 29 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) -0.47 1.31 -53.06 3 8 1 88 409.551 4
Mid Mid (pH 6-8) -0.47 3.74 -109.01 4 8 2 89 410.559 4

Activity (Go SEA)

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