UCSF

ZINC02565189

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 27 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) 4.57 6.01 -10.36 3 6 0 91 402.237 4
Hi High (pH 8-9.5) 4.57 6.79 -52.15 2 6 -1 94 401.229 4
Lo Low (pH 4.5-6) 4.57 6.32 -10.14 4 6 0 92 403.245 4

Activity (Go SEA)

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