UCSF

ZINC31958383

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) -0.70 5.9 -53.47 1 6 -1 87 274.3 4
Mid Mid (pH 6-8) -0.70 6.31 -51.02 2 6 0 88 275.308 4

Activity (Go SEA)

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