UCSF

ZINC00409216

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 0.70 3.59 -50.83 3 7 1 98 326.369 0
Mid Mid (pH 6-8) 0.70 0.99 -10.4 2 7 0 96 325.361 0

Activity (Go SEA)

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