UCSF

ZINC46018040

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.93 10.29 -47.67 2 4 1 50 334.509 7
Hi High (pH 8-9.5) 4.38 7.68 -45.89 1 4 0 53 333.501 7

Activity (Go SEA)

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