UCSF

ZINC37012025

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.19 5.17 -49.23 4 5 1 73 277.392 5
Mid Mid (pH 6-8) 1.19 5.16 -29.79 4 5 1 72 277.392 5
Mid Mid (pH 6-8) 1.19 5.45 -89.49 5 5 2 74 278.4 5
Mid Mid (pH 6-8) 1.19 4.85 -8.56 3 5 0 71 276.384 5

Activity (Go SEA)

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