UCSF

ZINC13799460

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 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) 3.53 9.06 -52.91 0 6 -1 80 463.311 3
Ref Reference (pH 7) 3.53 9.17 -51.98 0 6 -1 80 463.311 3
Lo Low (pH 4.5-6) 3.07 11.63 -11 1 6 0 77 464.319 3

Activity (Go SEA)

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