UCSF

ZINC13544868

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) 2.83 6.32 -59.75 2 8 -1 124 446.233 6
Mid Mid (pH 6-8) 3.28 3.72 -97.23 1 8 -2 127 445.225 6

Activity (Go SEA)

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