UCSF

ZINC34556667

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 30 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) 3.35 11.29 -64.59 2 5 1 60 412.542 3
Hi High (pH 8-9.5) 3.35 9.92 -12.78 1 5 0 55 411.534 3
Mid Mid (pH 6-8) 3.35 12.21 -105.72 3 5 2 61 413.55 3

Activity (Go SEA)

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