UCSF

ZINC36318126

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 23 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) 3.28 6.51 -59.09 3 5 1 63 353.229 4
Hi High (pH 8-9.5) 3.28 6.2 -10.5 2 5 0 62 352.221 4

Activity (Go SEA)

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