UCSF

ZINC34871772

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 17 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) 1.36 5.7 -42.59 2 6 1 79 237.283 2
Hi High (pH 8-9.5) 1.36 4.44 -8.45 1 6 0 74 236.275 2

Activity (Go SEA)

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