UCSF

ZINC34479412

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 12 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) -2.02 -3.87 -90.85 6 4 2 62 176.308 7
Hi High (pH 8-9.5) -2.02 -4.26 -42.24 5 4 1 60 175.3 7
Mid Mid (pH 6-8) -2.02 -1.95 -89.57 6 4 2 61 176.308 7
Mid Mid (pH 6-8) -2.02 -1.55 -177.94 7 4 3 63 177.316 7

Activity (Go SEA)

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