UCSF

ZINC37506717

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 20 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) 4.02 9.98 -116.51 3 2 2 21 337.305 3
Hi High (pH 8-9.5) 4.02 7.55 -43.82 2 2 1 20 336.297 3
Mid Mid (pH 6-8) 4.02 9.19 -37.2 2 2 1 16 336.297 3

Activity (Go SEA)

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