UCSF

ZINC02791954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 24 No

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) 3.05 7.97 -13.84 1 5 0 52 365.352 8
Mid Mid (pH 6-8) 3.77 7.81 -46.27 0 5 -1 49 364.344 8

Activity (Go SEA)

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