UCSF

ZINC16739811

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 23 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) 3.42 7.63 -8.02 1 4 0 51 330.384 4
Mid Mid (pH 6-8) 3.43 7.61 -34.7 0 4 -1 53 329.376 5
Lo Low (pH 4.5-6) 3.42 8.1 -12.09 1 4 0 51 330.384 5

Activity (Go SEA)

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