UCSF

ZINC36076875

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 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) 0.87 2.51 -42.32 3 6 1 79 289.425 7
Hi High (pH 8-9.5) 0.87 0.41 -9.91 2 6 0 78 288.417 7
Hi High (pH 8-9.5) 0.87 2.73 -29.59 2 6 0 81 288.417 7

Activity (Go SEA)

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