UCSF

ZINC33760015

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 8.01 16.16 -30.77 2 5 1 57 456.61 8
Mid Mid (pH 6-8) 8.01 15.76 -16.89 1 5 0 56 455.602 8
Mid Mid (pH 6-8) 8.01 16.18 -46.32 2 5 1 60 456.61 8
Lo Low (pH 4.5-6) 8.01 16.57 -102.19 3 5 2 61 457.618 8

Activity (Go SEA)

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