UCSF

ZINC09242020

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 36 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) 5.71 -1.25 -22.33 0 6 0 68 508.628 6
Lo Low (pH 4.5-6) 5.71 -1.14 -46.51 1 6 1 69 509.636 6

Activity (Go SEA)

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