UCSF

ZINC17150191

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 28 No

Other Names:

MFCD03079926

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) 4.62 8.71 -16.74 1 7 0 90 398.44 7
Mid Mid (pH 6-8) 4.13 8.3 -43.41 0 7 -1 89 397.432 8

Activity (Go SEA)

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