UCSF

ZINC05882321

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 23 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) 3.98 6.8 -9.53 2 4 0 58 375.321 6
Mid Mid (pH 6-8) 3.98 6.12 -29.13 3 4 1 60 376.329 6

Activity (Go SEA)

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