UCSF

ZINC49815002

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 15 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) 1.95 5.37 -43.01 2 2 1 25 212.288 6
Hi High (pH 8-9.5) 1.95 3.06 -4.84 1 2 0 23 211.28 6

Activity (Go SEA)

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