UCSF

ZINC96325939

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2014 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.01 5.42 -10.61 3 7 0 92 355.394 6
Mid Mid (pH 6-8) 3.01 5.33 -11.52 3 7 0 92 355.394 6
Mid Mid (pH 6-8) 3.01 5.55 -39.86 4 7 1 93 356.402 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.