UCSF

ZINC40013671

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 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) 3.35 10.1 -45.44 1 2 1 28 257.382 4
Hi High (pH 8-9.5) 3.35 7.81 -6.23 0 2 0 27 256.374 4

Activity (Go SEA)

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