UCSF

ZINC37846497

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) 3.01 5.31 -47.18 3 3 1 40 279.448 8
Hi High (pH 8-9.5) 3.01 5.02 -3.38 2 3 0 38 278.44 8
Mid Mid (pH 6-8) 3.01 6.59 -30.11 3 3 1 40 279.448 8
Mid Mid (pH 6-8) 3.01 6.99 -120.25 4 3 2 41 280.456 8

Activity (Go SEA)

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