UCSF

ZINC02490704

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 19 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) 2.31 5.31 -51.06 1 5 -1 86 284.357 9
Lo Low (pH 4.5-6) 2.31 3.34 -13.67 2 5 0 83 285.365 9

Activity (Go SEA)

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