UCSF

ZINC35644769

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 32 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) 2.97 7.36 -14.35 1 9 0 91 444.532 8
Lo Low (pH 4.5-6) 2.97 9.15 -50.75 2 9 1 93 445.54 8

Activity (Go SEA)

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