UCSF

ZINC33767657

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 36 No

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) 3.39 7.65 -41.14 0 8 -1 91 491.564 10
Mid Mid (pH 6-8) 3.39 10.05 -52.26 1 8 0 93 492.572 10
Lo Low (pH 4.5-6) 3.39 8.92 -56.49 2 8 1 90 493.58 10

Activity (Go SEA)

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