UCSF

ZINC00854869

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 28 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) 4.32 13.17 -11.97 1 5 0 48 373.456 7
Mid Mid (pH 6-8) 4.32 13.59 -33.62 2 5 1 50 374.464 7

Activity (Go SEA)

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