UCSF

ZINC00867072

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2004 32 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) 5.29 11.11 -11.42 2 5 0 59 462.903 6
Mid Mid (pH 6-8) 5.46 11.52 -35.78 3 5 1 64 463.911 6

Activity (Go SEA)

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