UCSF

ZINC49577443

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 18 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) 1.90 5.88 -57.08 3 3 1 45 252.288 4
Hi High (pH 8-9.5) 1.90 4.51 -9.88 2 3 0 41 251.28 4

Activity (Go SEA)

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