UCSF

ZINC38235470

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 15 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) 2.47 4.41 -9.18 2 3 0 41 204.273 1
Lo Low (pH 4.5-6) 2.47 4.95 -39.09 3 3 1 46 205.281 1

Activity (Go SEA)

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