UCSF

ZINC31995315

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.38 9.24 -42.72 2 4 1 38 311.453 3
Hi High (pH 8-9.5) 1.38 9.97 -41.59 2 4 1 34 311.453 3
Lo Low (pH 4.5-6) 1.38 11.63 -180.37 4 4 3 40 313.469 3

Activity (Go SEA)

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