UCSF

ZINC11820893

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 23 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) 0.74 -6.73 -46.95 2 6 1 75 340.469 4
Lo Low (pH 4.5-6) 0.74 -6.62 -98.7 3 6 2 76 341.477 4

Activity (Go SEA)

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