UCSF

ZINC60466306

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 22 No

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) 0.81 4.27 -44.21 3 6 1 77 306.386 6
Hi High (pH 8-9.5) 0.81 2.44 -23.78 2 6 0 76 305.378 6

Activity (Go SEA)

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