UCSF

ZINC00626262

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 36 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) 4.03 10.45 -56.57 0 7 -1 88 490.507 9
Mid Mid (pH 6-8) 4.47 9.37 -29.61 1 7 0 85 491.515 8
Mid Mid (pH 6-8) 3.44 10.39 -21.25 0 7 0 82 491.515 9

Activity (Go SEA)

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