UCSF

ZINC36997834

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 6.13 10.89 -3.2 1 1 0 12 342.697 5
Lo Low (pH 4.5-6) 6.13 11.68 -43.01 2 1 1 17 343.705 5

Activity (Go SEA)

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