UCSF

ZINC02088416

Substance Information

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

Other Names:

MFCD02056169

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) 4.72 7.34 -12.81 2 5 0 59 465.701 5
Mid Mid (pH 6-8) 4.90 7.84 -35.17 3 5 1 64 466.709 5

Activity (Go SEA)

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