UCSF

ZINC44930778

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 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) -0.18 -0.84 -40.34 1 7 -1 99 238.252 4
Lo Low (pH 4.5-6) -0.18 -0.7 -16.33 2 7 0 101 239.26 4

Activity (Go SEA)

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