UCSF

ZINC36221939

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 33 No

Other Names:

DNC013081

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) 0.90 9.24 -100.12 1 8 0 106 469.515 5
Hi High (pH 8-9.5) 0.90 7.05 -63.28 0 8 -1 105 468.507 5

Activity (Go SEA)

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