UCSF

ZINC08071213

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 23 No

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) 3.02 6.49 -14.74 2 4 0 58 322.286 5
Hi High (pH 8-9.5) 3.21 4.82 -42.76 1 4 -1 65 321.278 5

Activity (Go SEA)

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