UCSF

ZINC06753223

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 29 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) 3.21 5.85 -12.29 2 7 0 88 393.443 6
Hi High (pH 8-9.5) 3.21 6.66 -47.35 1 7 -1 91 392.435 6

Activity (Go SEA)

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