UCSF

ZINC34677077

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 26 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) 0.72 0.91 -42.93 3 7 1 83 359.45 7
Mid Mid (pH 6-8) 0.72 -1.36 -8.62 2 7 0 82 358.442 7

Activity (Go SEA)

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