UCSF

ZINC08742634

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 35 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) 2.51 -1.45 -14.93 1 9 0 115 467.485 4
Lo Low (pH 4.5-6) 2.51 -1.34 -45.7 2 9 1 116 468.493 4

Activity (Go SEA)

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