UCSF

ZINC22036371

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 16 Yes

CAS Numbers: 329268-20-4 , n / a

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) 0.46 2.98 -42.72 2 5 1 50 241.34 3
Hi High (pH 8-9.5) 0.46 0.67 -15.15 1 5 0 48 240.332 3
Mid Mid (pH 6-8) 0.28 1.85 -30.53 1 5 0 56 240.332 3
Mid Mid (pH 6-8) 1.02 2.26 -30.95 2 5 1 53 241.34 2

Activity (Go SEA)

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