UCSF

ZINC35416236

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 32 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) 1.35 6.83 -56.48 3 9 1 105 483.014 12
Hi High (pH 8-9.5) 1.16 5.69 -70.69 2 9 0 111 482.006 12

Activity (Go SEA)

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