UCSF

ZINC00881974

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2004 26 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) 4.58 1.43 -13.38 1 5 0 47 351.45 5
Mid Mid (pH 6-8) 4.58 1.59 -24.6 2 5 1 49 352.458 5

Activity (Go SEA)

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