UCSF

ZINC34949017

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 4.86 12.4 -16.15 0 4 0 33 456.561 7
Mid Mid (pH 6-8) 4.86 14.69 -67.6 1 4 1 34 457.569 7

Activity (Go SEA)

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