UCSF

ZINC06727995

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 30 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) 3.73 11.4 -29.28 2 5 0 71 421.566 3
Lo Low (pH 4.5-6) 3.68 -1.96 -35.45 2 5 1 72 422.574 3
Lo Low (pH 4.5-6) 3.68 -1.81 -29.26 2 5 1 72 422.574 3

Activity (Go SEA)

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