UCSF

ZINC02459054

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 28 No

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) 1.92 5.88 -66.13 1 7 -1 107 380.376 7
Mid Mid (pH 6-8) 2.36 -1.35 -28.59 2 7 0 104 381.384 6
Mid Mid (pH 6-8) 1.33 -1.07 -23.31 1 7 0 100 381.384 7

Activity (Go SEA)

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