UCSF

ZINC02171902

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 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) 4.89 6.15 -17.2 2 6 0 99 456.523 6
Hi High (pH 8-9.5) 4.89 6.94 -51.94 1 6 -1 102 455.515 6
Lo Low (pH 4.5-6) 4.89 6.52 -51.7 3 6 1 101 457.531 6

Activity (Go SEA)

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