UCSF

ZINC70613452

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 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) 2.33 5.11 -40.71 3 3 1 48 227.372 3
Hi High (pH 8-9.5) 2.33 4.8 -5.61 2 3 0 46 226.364 3

Activity (Go SEA)

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