UCSF

ZINC00155025

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 20 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) 3.28 7.84 -41.82 3 3 1 48 307.826 2
Mid Mid (pH 6-8) 3.28 5.42 -6.32 2 3 0 46 306.818 2

Activity (Go SEA)

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