UCSF

ZINC38575517

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 26 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) 3.12 2.25 -18.92 1 7 0 86 361.304 5
Hi High (pH 8-9.5) 3.19 0.56 -52.15 0 7 -1 93 360.296 5

Activity (Go SEA)

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