UCSF

ZINC33830108

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 28 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) 1.86 4.13 -7.25 2 6 0 73 384.476 3
Mid Mid (pH 6-8) 1.86 6.29 -35.91 3 6 1 74 385.484 3

Activity (Go SEA)

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