UCSF

ZINC34678767

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 29 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) 3.57 13.25 -55.69 1 7 1 80 398.483 7
Hi High (pH 8-9.5) 3.57 11.02 -13.69 0 7 0 79 397.475 7

Activity (Go SEA)

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