UCSF

ZINC36221931

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 31 No

Other Names:

DNC013078

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) 0.07 8.26 -97.2 1 8 0 106 449.525 5
Hi High (pH 8-9.5) 0.07 6.04 -60.29 0 8 -1 105 448.517 5

Activity (Go SEA)

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