UCSF

ZINC37856265

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.24 -2.21 -48.44 2 7 -1 111 326.379 4
Hi High (pH 8-9.5) 1.24 -2.16 -103.24 1 7 -2 113 325.371 4
Mid Mid (pH 6-8) 0.78 -0.02 -44.91 2 7 -1 110 326.379 4
Mid Mid (pH 6-8) 0.79 -0.17 -15.75 3 7 0 108 327.387 4

Activity (Go SEA)

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