UCSF

ZINC16741700

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 26 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) 3.75 6.68 -52.57 1 5 -1 78 370.812 6
Mid Mid (pH 6-8) 3.93 4.99 -27.88 2 5 0 84 371.82 6
Mid Mid (pH 6-8) 3.16 6.48 -21.33 1 5 0 72 371.82 6
Lo Low (pH 4.5-6) 3.75 5.92 -12.53 2 5 0 76 371.82 6

Activity (Go SEA)

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