UCSF

ZINC33794221

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 33 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) 5.47 11.7 -9.66 1 6 0 73 503.769 6
Hi High (pH 8-9.5) 5.93 10.18 -43.7 0 6 -1 76 502.761 6

Activity (Go SEA)

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