UCSF

ZINC31995848

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 3.48 6.95 -55.81 3 4 1 73 263.704 3
Hi High (pH 8-9.5) 3.48 6.56 -9.16 2 4 0 72 262.696 3

Activity (Go SEA)

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