UCSF

ZINC12020268

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 33 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) 1.57 4.08 -58.44 2 10 1 127 498.603 9
Hi High (pH 8-9.5) 1.57 4.62 -51.15 1 10 0 130 497.595 9

Activity (Go SEA)

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