UCSF

ZINC16549633

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 28 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) 5.17 9.62 -19.45 2 5 0 79 409.536 4
Mid Mid (pH 6-8) 5.63 8.25 -51.99 1 5 -1 82 408.528 4

Activity (Go SEA)

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