UCSF

ZINC33478886

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 32 No

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) -0.34 7.77 -40.83 3 9 0 141 438.436 5
Hi High (pH 8-9.5) -0.34 4.81 -58.5 2 9 -1 136 437.428 5
Hi High (pH 8-9.5) -0.34 7.15 -58.48 2 9 -1 143 437.428 5
Mid Mid (pH 6-8) -0.34 6.09 -54.84 2 9 -1 136 437.428 5

Activity (Go SEA)

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