UCSF

ZINC18269838

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 17 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) 0.05 4.88 -11.65 0 7 0 71 238.247 3
Mid Mid (pH 6-8) 0.05 5.35 -49.07 1 7 1 72 239.255 3

Activity (Go SEA)

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