UCSF

ZINC31995798

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) 3.19 5.76 -13.64 1 5 0 83 243.218 3
Hi High (pH 8-9.5) 3.19 6.55 -39.54 0 5 -1 86 242.21 3

Activity (Go SEA)

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