UCSF

ZINC17427523

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2008 17 No

Other Names:

MFCD00442105

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) 4.74 6.44 -7.75 1 2 0 33 266.127 2
Mid Mid (pH 6-8) 4.74 7.23 -39.49 0 2 -1 35 265.119 2
Lo Low (pH 4.5-6) 4.74 7.1 -35.89 2 2 1 34 267.135 2

Activity (Go SEA)

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