UCSF

ZINC10691350

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2007 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.19 14.4 -46.08 1 3 1 25 377.552 5
Hi High (pH 8-9.5) 4.19 12.17 -9.03 0 3 0 24 376.544 5

Activity (Go SEA)

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