UCSF

ZINC30698732

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 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) 1.30 3.79 -11.29 1 5 0 54 311.385 5
Lo Low (pH 4.5-6) 1.30 5.96 -53.9 2 5 1 56 312.393 5

Activity (Go SEA)

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