UCSF

ZINC36322072

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 3.68 7.52 -52.12 3 4 1 54 336.337 5
Hi High (pH 8-9.5) 3.68 7.23 -7.76 2 4 0 53 335.329 5

Activity (Go SEA)

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