UCSF

ZINC34985082

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 38 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) 2.76 7.55 -114.11 5 9 2 115 523.63 9
Hi High (pH 8-9.5) 2.76 5.53 -13.25 3 9 0 109 521.614 9
Mid Mid (pH 6-8) 2.76 5.79 -46.68 4 9 1 114 522.622 9
Mid Mid (pH 6-8) 2.76 7.21 -48.82 4 9 1 111 522.622 9

Activity (Go SEA)

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