UCSF

ZINC13285460

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2008 17 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) 0.78 6.3 -56.25 2 3 1 42 228.319 6
Lo Low (pH 4.5-6) 0.78 6.58 -105.42 3 3 2 44 229.327 6
Lo Low (pH 4.5-6) 0.78 6.86 -164.18 4 3 3 45 230.335 6

Activity (Go SEA)

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