UCSF

ZINC44685602

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 1.26 6.77 -80.91 3 3 2 21 237.391 3
Hi High (pH 8-9.5) 1.26 4.44 -32.83 2 3 1 20 236.383 3

Activity (Go SEA)

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