UCSF

ZINC19677195

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 17 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) -0.26 2.64 -55.36 3 5 1 68 242.343 3
Hi High (pH 8-9.5) -0.26 2.31 -16.41 2 5 0 67 241.335 3

Activity (Go SEA)

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