UCSF

ZINC00754069

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 29 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) 2.25 1.72 -55.42 1 9 -1 122 413.435 7
Lo Low (pH 4.5-6) 2.25 2.23 -17.53 2 9 0 120 414.443 7

Activity (Go SEA)

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