UCSF

ZINC34948600

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 5.42 10.59 -15.46 1 5 0 45 490.353 8
Mid Mid (pH 6-8) 5.42 12.85 -52.56 2 5 1 46 491.361 8

Activity (Go SEA)

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