UCSF

ZINC36614036

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 28 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) 2.90 6.41 -15.89 1 6 0 81 376.391 4
Lo Low (pH 4.5-6) 2.90 6.86 -55.34 2 6 1 82 377.399 4

Activity (Go SEA)

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