UCSF

ZINC36873985

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 Yes

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) 1.22 7.56 -42.7 4 3 1 56 278.379 4
Hi High (pH 8-9.5) 1.22 7.32 -7.38 3 3 0 55 277.371 4
Mid Mid (pH 6-8) 1.22 7.87 -29.22 4 3 1 56 278.379 4
Mid Mid (pH 6-8) 1.22 8.17 -119.6 5 3 2 58 279.387 4

Activity (Go SEA)

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