UCSF

ZINC40861542

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 19 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) -1.30 -1.47 -66.14 3 7 1 76 292.429 5
Hi High (pH 8-9.5) -1.30 -4.65 -8.81 2 7 0 68 291.421 5
Mid Mid (pH 6-8) -1.30 -1.06 -106.19 4 7 2 74 293.437 5
Mid Mid (pH 6-8) -1.30 -2.27 -42.85 3 7 1 69 292.429 5
Mid Mid (pH 6-8) -1.30 -1.17 -114.4 4 7 2 74 293.437 5
Mid Mid (pH 6-8) -1.30 -2.39 -45.29 3 7 1 69 292.429 5

Activity (Go SEA)

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