UCSF

ZINC31905157

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 2.81 5.66 -8.62 1 5 0 51 302.374 6
Lo Low (pH 4.5-6) 2.81 7.97 -44.93 2 5 1 52 303.382 6

Activity (Go SEA)

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