UCSF

ZINC41681517

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 1.91 9.21 -102.09 2 5 1 62 252.338 7
Hi High (pH 8-9.5) 1.91 6.35 -47.47 0 5 -1 59 250.322 7
Mid Mid (pH 6-8) 1.91 8.83 -70.59 1 5 0 61 251.33 7

Activity (Go SEA)

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