UCSF

ZINC30141771

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2009 20 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) 4.07 8.57 -45.1 2 3 1 34 344.248 4
Hi High (pH 8-9.5) 4.07 6.22 -5.71 1 3 0 32 343.24 4

Activity (Go SEA)

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