UCSF

ZINC38000738

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 1.64 4.49 -37.04 4 4 1 60 264.393 6
Hi High (pH 8-9.5) 1.64 2.02 -6.14 3 4 0 58 263.385 6

Activity (Go SEA)

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