UCSF

ZINC11154855

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2007 31 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) 2.15 -0.77 -18.5 1 9 0 100 425.489 8
Mid Mid (pH 6-8) 2.15 -0.42 -55.93 2 9 1 101 426.497 8

Activity (Go SEA)

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