UCSF

ZINC00546001

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 4.36 12.57 -11.36 0 4 0 43 343.217 2
Mid Mid (pH 6-8) 4.36 14.09 -49.08 2 4 1 47 344.225 2

Activity (Go SEA)

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