UCSF

ZINC35610568

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 28 No

Other Names:

MFCD05662020

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) 0.92 12.56 -39.7 1 6 1 75 389.46 6
Lo Low (pH 4.5-6) 0.92 13.03 -95.26 2 6 2 76 390.468 6

Activity (Go SEA)

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