UCSF

ZINC20353374

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 22 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) 2.14 3.81 -31.48 3 5 1 56 299.398 4
Mid Mid (pH 6-8) 2.14 6.13 -96.4 4 5 2 57 300.406 4
Mid Mid (pH 6-8) 2.14 5.84 -41.24 3 5 1 56 299.398 4
Mid Mid (pH 6-8) 2.14 3.53 -8.86 2 5 0 55 298.39 4

Activity (Go SEA)

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