UCSF

ZINC31946985

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 1.48 5.13 -60.14 4 5 1 75 307.443 8
Lo Low (pH 4.5-6) 1.48 5.58 -86.42 5 5 2 76 308.451 8

Activity (Go SEA)

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