UCSF

ZINC39917509

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) 5.18 13.38 -42.26 1 4 1 31 384.931 6
Hi High (pH 8-9.5) 5.18 11.45 -6.99 0 4 0 30 383.923 6

Activity (Go SEA)

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