UCSF

ZINC31995784

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) 3.25 7.37 -52.84 3 4 1 73 243.286 3
Hi High (pH 8-9.5) 3.25 6.98 -9.59 2 4 0 72 242.278 3

Activity (Go SEA)

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