UCSF

ZINC34821681

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 15 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) -3.51 -10.23 -49.04 7 7 1 127 221.233 4
Mid Mid (pH 6-8) -3.51 -11.83 -17.53 6 7 0 122 220.225 4

Activity (Go SEA)

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