UCSF

ZINC35430578

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 29 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) 3.45 10.86 -12.04 1 5 0 63 407.539 2
Lo Low (pH 4.5-6) 3.45 11.35 -38.07 2 5 1 65 408.547 2

Activity (Go SEA)

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