UCSF

ZINC04260461

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 3.39 5.73 -21.26 4 9 0 129 511.332 7
Hi High (pH 8-9.5) 3.39 6.65 -71.58 3 9 -1 132 510.324 7

Activity (Go SEA)

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