UCSF

ZINC22583904

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 18 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) 1.58 4.55 -35.53 2 4 1 37 254.398 3
Mid Mid (pH 6-8) 1.58 2.19 -7.36 1 4 0 36 253.39 3
Mid Mid (pH 6-8) 1.58 4.41 -33.25 2 4 1 37 254.398 3

Activity (Go SEA)

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