UCSF

ZINC12169619

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2008 34 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) 4.24 13 -51.26 2 6 1 63 458.582 8
Hi High (pH 8-9.5) 4.24 10.52 -14.91 1 6 0 62 457.574 8

Activity (Go SEA)

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