UCSF

ZINC45686951

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 2.32 6.21 -54.52 2 5 1 61 331.186 7
Hi High (pH 8-9.5) 2.32 4.85 -8.25 1 5 0 57 330.178 7

Activity (Go SEA)

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