UCSF

ZINC56493510

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2011 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.81 6.59 -45.89 2 7 1 70 385.488 7
Hi High (pH 8-9.5) 0.81 4.21 -16.39 1 7 0 69 384.48 7
Mid Mid (pH 6-8) 0.81 8.8 -105.69 3 7 2 71 386.496 7

Activity (Go SEA)

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