UCSF

ZINC37797605

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 2.05 6.06 -38.04 2 3 1 29 256.439 7
Lo Low (pH 4.5-6) 2.05 7.22 -121.02 3 3 2 34 257.447 7

Activity (Go SEA)

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