UCSF

ZINC34582210

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 12 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) -2.32 -2.27 -8.95 2 5 0 76 176.168 2
Hi High (pH 8-9.5) -2.32 -1.51 -49.04 1 5 -1 79 175.16 2

Activity (Go SEA)

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