UCSF

ZINC03271603

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2005 23 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) 3.15 7.35 -11.99 3 5 0 66 329.425 6
Hi High (pH 8-9.5) 3.15 8.11 -41.44 2 5 -1 69 328.417 6

Activity (Go SEA)

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