UCSF

ZINC37812736

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) -0.16 7.22 -95.03 4 4 2 52 289.423 3
Hi High (pH 8-9.5) -0.16 4.64 -6.66 2 4 0 50 287.407 3
Mid Mid (pH 6-8) -0.16 4.97 -40.41 3 4 1 51 288.415 3

Activity (Go SEA)

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