UCSF

ZINC36785057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 2.37 9.38 -61.43 0 4 -1 60 266.361 5
Lo Low (pH 4.5-6) 2.37 7.22 -13.09 1 4 0 58 267.369 5

Activity (Go SEA)

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