UCSF

ZINC20200275

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 3.75 8.06 -94.53 3 3 2 24 283.504 4
Mid Mid (pH 6-8) 3.75 7.43 -117.67 3 3 2 24 283.504 4
Mid Mid (pH 6-8) 3.75 5.59 -36.74 2 3 1 23 282.496 4

Activity (Go SEA)

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