UCSF

ZINC37830632

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.64 8.19 -58.07 0 5 -1 70 316.443 9
Lo Low (pH 4.5-6) 1.64 6.29 -12.72 1 5 0 67 317.451 9

Activity (Go SEA)

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