UCSF

ZINC34984722

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 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) 2.00 3.45 -62.74 5 9 1 125 502.632 9
Hi High (pH 8-9.5) 2.00 1.73 -17.82 4 9 0 123 501.624 9
Mid Mid (pH 6-8) 2.00 4.3 -116.16 6 9 2 129 503.64 9

Activity (Go SEA)

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