UCSF

ZINC36091479

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 24 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) 2.58 5.38 -39.13 2 5 1 54 354.54 7
Hi High (pH 8-9.5) 2.58 3.15 -11.33 1 5 0 53 353.532 7

Activity (Go SEA)

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