UCSF

ZINC06257236

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 25 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) 1.52 4.52 -47.43 2 7 1 76 382.897 5
Mid Mid (pH 6-8) 1.52 2.16 -9.41 1 7 0 74 381.889 5

Activity (Go SEA)

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