UCSF

ZINC18284969

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 24 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) 0.37 2.77 -65.28 4 7 -1 128 322.3 3
Mid Mid (pH 6-8) 1.22 0.99 -25.59 5 7 0 130 323.308 3

Activity (Go SEA)

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