UCSF

ZINC22073400

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 12 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) 1.42 6.49 -109.71 3 2 2 21 172.316 5
Mid Mid (pH 6-8) 1.42 4.3 -33.91 2 2 1 20 171.308 5

Activity (Go SEA)

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