UCSF

ZINC22073472

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 12 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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 4.33 -33.8 2 2 1 20 171.308 4
Mid Mid (pH 6-8) 1.42 6.33 -108.17 3 2 2 21 172.316 4
Mid Mid (pH 6-8) 1.42 5.08 -28.31 2 2 1 16 171.308 4

Activity (Go SEA)

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