UCSF

ZINC35744381

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 27 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) 2.85 9.42 -56.46 3 5 1 70 384.525 7
Hi High (pH 8-9.5) 3.30 6.64 -51.05 2 5 0 74 383.517 7

Activity (Go SEA)

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