UCSF

ZINC05047371

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 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) 2.00 1.36 -51.82 3 4 1 67 305.21 5
Mid Mid (pH 6-8) 1.53 3.98 -4.59 0 4 0 35 263.337 5
Mid Mid (pH 6-8) 1.53 6.3 -31.78 1 4 1 36 264.345 5

Activity (Go SEA)

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