UCSF

ZINC72322796

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2012 29 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) 2.09 8.16 -19.03 1 7 0 72 389.459 5
Lo Low (pH 4.5-6) 2.09 8.6 -54.29 2 7 1 73 390.467 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.