UCSF

ZINC00866980

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) 5.24 10.01 -14.15 1 6 0 59 470.923 5
Mid Mid (pH 6-8) 5.42 10.3 -33.5 2 6 1 64 471.931 5

Activity (Go SEA)

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