UCSF

ZINC00755002

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) 2.22 -5.8 -21.67 2 9 0 119 414.443 7
Hi High (pH 8-9.5) 2.22 -5.31 -55.41 1 9 -1 121 413.435 7

Activity (Go SEA)

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