UCSF

ZINC39879589

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.26 10.17 -11.92 1 6 0 80 492.325 3
Hi High (pH 8-9.5) 5.26 11.09 -51.15 0 6 -1 83 491.317 3

Activity (Go SEA)

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