UCSF

ZINC36646259

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 26 Yes

Other Names:

MFCD15782745

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) 3.34 6.53 -17.91 1 6 0 84 344.326 1
Mid Mid (pH 6-8) 3.80 4.63 -50.97 0 6 -1 87 343.318 1

Activity (Go SEA)

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