UCSF

ZINC04230105

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 33 No

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) 3.45 5.14 -18.32 4 9 0 129 446.463 7
Hi High (pH 8-9.5) 3.45 5.91 -64.23 3 9 -1 132 445.455 7

Activity (Go SEA)

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