UCSF

ZINC23298786

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 33 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) 3.00 7.3 -47.99 3 8 1 84 453.563 8
Hi High (pH 8-9.5) 3.00 7.34 -50.38 3 8 1 84 453.563 8
Mid Mid (pH 6-8) 3.00 5.16 -16.64 2 8 0 83 452.555 8

Activity (Go SEA)

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