UCSF

ZINC40002638

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 22 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) 3.30 9.45 -34.66 2 3 1 34 317.478 6
Hi High (pH 8-9.5) 3.30 7.15 -8.41 1 3 0 32 316.47 6

Activity (Go SEA)

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