UCSF

ZINC36732742

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 28 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) 3.64 8.97 -18.14 2 6 0 80 393.468 5
Hi High (pH 8-9.5) 3.82 6.42 -46.26 1 6 -1 87 392.46 5

Activity (Go SEA)

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