UCSF

ZINC16611229

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 34 No

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) 3.88 9.7 -19.76 2 8 0 101 496.614 7
Hi High (pH 8-9.5) 3.88 9.8 -58.63 1 8 -1 103 495.606 7

Activity (Go SEA)

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