UCSF

ZINC34948578

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 28 No

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) 0.99 9.2 -215.7 1 9 -3 167 390.368 13
Lo Low (pH 4.5-6) 0.99 7.18 -133.57 2 9 -2 164 391.376 13

Activity (Go SEA)

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