UCSF

ZINC31910242

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 4.01 8.04 -10.01 2 4 0 47 298.434 7
Mid Mid (pH 6-8) 4.01 9.45 -38.08 3 4 1 48 299.442 7
Mid Mid (pH 6-8) 4.01 8.43 -24.83 3 4 1 48 299.442 7
Lo Low (pH 4.5-6) 4.01 9.85 -83.11 4 4 2 49 300.45 7

Activity (Go SEA)

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