UCSF

ZINC37838973

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.12 3.9 -46.85 0 6 -1 81 329.423 5
Mid Mid (pH 6-8) 1.12 6.26 -70.79 1 6 0 82 330.431 5

Activity (Go SEA)

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