UCSF

ZINC33878591

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 11 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) 1.22 4.22 -42.73 3 1 1 28 168.285 3
Hi High (pH 8-9.5) 1.22 4.56 -3.15 2 1 0 26 167.277 3

Activity (Go SEA)

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