UCSF

ZINC20194516

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 14 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) 1.13 2.36 -34 3 3 1 37 201.334 5
Mid Mid (pH 6-8) 1.13 1.07 -33.04 3 3 1 40 201.334 5
Lo Low (pH 4.5-6) 1.13 3.42 -97.16 4 3 2 41 202.342 5

Activity (Go SEA)

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