UCSF

ZINC31933257

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) 1.08 6.21 -46.66 2 5 1 50 308.409 3
Hi High (pH 8-9.5) 1.08 4.81 -10.78 1 5 0 45 307.401 3
Mid Mid (pH 6-8) 1.08 6.61 -83.52 3 5 2 51 309.417 3

Activity (Go SEA)

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