UCSF

ZINC36354099

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 26 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) 3.47 8.81 -58.35 1 6 -1 91 366.784 3
Ref Reference (pH 7) 3.28 11.49 -59.75 1 6 -1 87 366.784 3
Lo Low (pH 4.5-6) 3.47 9.27 -75.43 2 6 0 92 367.792 3

Activity (Go SEA)

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