UCSF

ZINC51827262

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2010 16 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) 0.86 3.62 -36.9 3 4 1 57 223.296 6
Hi High (pH 8-9.5) 0.86 1.33 -10.18 2 4 0 56 222.288 6

Activity (Go SEA)

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