UCSF

ZINC39917325

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 27 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) 6.26 13.84 -44.66 1 3 1 22 403.377 4
Hi High (pH 8-9.5) 6.26 11.95 -9.63 0 3 0 21 402.369 4

Activity (Go SEA)

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