UCSF

ZINC14533846

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 30 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) 3.84 10.24 -12.79 2 7 0 85 412.465 8
Lo Low (pH 4.5-6) 3.84 10.51 -32.21 3 7 1 87 413.473 8

Activity (Go SEA)

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