UCSF

ZINC39761797

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 30 No

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) 3.11 8.61 -22 2 12 0 172 430.402 8
Mid Mid (pH 6-8) 3.11 8.41 -51.23 1 12 -1 170 429.394 8

Activity (Go SEA)

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