UCSF

ZINC36826688

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 19 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) 3.02 6.14 -45.5 3 2 1 31 279.473 3
Mid Mid (pH 6-8) 3.02 7.61 -27.24 3 2 1 30 279.473 3
Mid Mid (pH 6-8) 3.02 7.97 -125.99 4 2 2 32 280.481 3

Activity (Go SEA)

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