UCSF

ZINC37832676

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) 0.36 5.55 -55.84 0 5 -1 70 226.252 6
Lo Low (pH 4.5-6) 0.36 4.29 -12.8 1 5 0 67 227.26 6

Activity (Go SEA)

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