UCSF

ZINC44649841

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 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) -0.35 2.5 -55.96 4 7 1 93 280.352 8
Hi High (pH 8-9.5) -0.35 1.16 -22.54 3 7 0 88 279.344 8

Activity (Go SEA)

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