UCSF

ZINC02429199

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2004 23 Yes

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) 2.03 4.7 -10.87 2 6 0 79 333.31 4
Hi High (pH 8-9.5) 1.66 2.41 -41.28 1 6 -1 85 332.302 4

Activity (Go SEA)

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