UCSF

ZINC37039599

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.38 2.56 -94.95 5 5 2 64 284.448 5
Mid Mid (pH 6-8) 0.38 0.33 -45.93 4 5 1 63 283.44 5
Lo Low (pH 4.5-6) 0.38 2.59 -116.21 5 5 2 64 284.448 5

Activity (Go SEA)

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