UCSF

ZINC37492427

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 26 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) 2.95 8.31 -59.26 1 5 -1 70 362.434 4
Lo Low (pH 4.5-6) 2.49 10.41 -14.45 2 5 0 67 363.442 4

Activity (Go SEA)

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