UCSF

ZINC31785558

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 25 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) 3.22 8.26 -10.19 0 3 0 24 368.786 3
Mid Mid (pH 6-8) 3.22 10.58 -48.08 1 3 1 25 369.794 3

Activity (Go SEA)

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