UCSF

ZINC03202841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 32 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) 0.53 0.99 -28.17 2 10 0 133 482.584 9
Mid Mid (pH 6-8) 0.66 -4.27 -18.94 2 10 0 140 482.584 9
Lo Low (pH 4.5-6) 0.66 -1.53 -125.65 4 10 2 143 484.6 9

Activity (Go SEA)

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