UCSF

ZINC19261286

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) 1.72 4.39 -36.74 4 4 1 60 254.329 4
Hi High (pH 8-9.5) 1.72 2.29 -10.84 3 4 0 58 253.321 4

Activity (Go SEA)

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