UCSF

ZINC36318235

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 19 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) 3.61 7.57 -55.75 3 3 1 45 317.21 2
Hi High (pH 8-9.5) 3.61 7.37 -12.06 2 3 0 43 316.202 2

Activity (Go SEA)

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