UCSF

ZINC02088272

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 27 Yes

Other Names:

MFCD01923492

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) 4.36 7.38 -11.54 2 5 0 59 400.832 5
Mid Mid (pH 6-8) 4.54 7.86 -31.37 3 5 1 64 401.84 5

Activity (Go SEA)

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