UCSF

ZINC45456698

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2010 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) 3.19 8.99 -17.49 0 5 0 50 349.434 4
Mid Mid (pH 6-8) 3.19 10.86 -57.72 1 5 1 51 350.442 4

Activity (Go SEA)

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