UCSF

ZINC31933766

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 2.36 7 -46.02 3 5 1 62 335.497 6
Hi High (pH 8-9.5) 2.36 4.49 -10.09 2 5 0 61 334.489 6
Mid Mid (pH 6-8) 2.36 5.89 -58.34 3 5 1 66 335.497 6
Mid Mid (pH 6-8) 2.36 8.43 -124.16 4 5 2 67 336.505 6

Activity (Go SEA)

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