UCSF

ZINC31933171

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 3.31 9.81 -50.17 1 5 1 40 310.377 3
Mid Mid (pH 6-8) 3.31 8.32 -12.21 0 5 0 39 309.369 3
Mid Mid (pH 6-8) 3.31 8.76 -27.97 1 5 1 40 310.377 3
Mid Mid (pH 6-8) 3.31 10.25 -96.97 2 5 2 41 311.385 3

Activity (Go SEA)

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