UCSF

ZINC02095409

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 34 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) -1.24 9.93 -29.56 3 9 1 112 460.514 6
Lo Low (pH 4.5-6) -1.17 8.3 -91.97 4 9 2 117 461.522 6

Activity (Go SEA)

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