UCSF

ZINC37839443

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.80 6.43 -21.06 1 5 0 66 268.357 6
Hi High (pH 8-9.5) 0.81 5.38 -58.3 1 5 -1 72 267.349 6

Activity (Go SEA)

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