UCSF

ZINC07613831

Substance Information

In ZINC since Heavy atoms Benign functionality
June 7th, 2006 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) 3.52 10.57 -39.42 2 3 1 34 317.478 7
Hi High (pH 8-9.5) 3.52 8.17 -9.23 1 3 0 32 316.47 7

Activity (Go SEA)

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