UCSF

ZINC33828179

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 30 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) 1.45 5.13 -15.82 2 7 0 84 405.502 8
Mid Mid (pH 6-8) 1.45 5.9 -36.4 3 7 1 86 406.51 8
Lo Low (pH 4.5-6) 1.45 8.09 -98.93 4 7 2 87 407.518 8

Activity (Go SEA)

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