UCSF

ZINC35457455

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 33 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) 3.18 11.52 -17.96 0 8 0 96 450.539 6
Lo Low (pH 4.5-6) 3.18 11.93 -49.8 1 8 1 97 451.547 6

Activity (Go SEA)

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