UCSF

ZINC33331873

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 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) 2.76 9.56 -43.13 2 7 1 72 413.542 5
Hi High (pH 8-9.5) 2.76 7.03 -11.12 1 7 0 71 412.534 5

Activity (Go SEA)

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