UCSF

ZINC33781366

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 39 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.84 8.77 -11.03 2 8 0 128 529.685 8
Mid Mid (pH 6-8) 4.84 11.08 -43.59 3 8 1 130 530.693 8

Activity (Go SEA)

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