UCSF

ZINC43705523

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) -0.83 3.44 -96.38 3 6 0 97 264.281 3
Hi High (pH 8-9.5) -0.83 3.04 -53.18 2 6 -1 96 263.273 3

Activity (Go SEA)

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