UCSF

ZINC37856249

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.48 -0.99 -42.53 1 6 -1 91 313.38 5
Hi High (pH 8-9.5) 2.48 -0.92 -99.58 0 6 -2 93 312.372 5
Mid Mid (pH 6-8) 2.02 1.31 -40.26 1 6 -1 90 313.38 5
Mid Mid (pH 6-8) 2.02 1.14 -11.05 2 6 0 88 314.388 5

Activity (Go SEA)

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