UCSF

ZINC14160784

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2008 25 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) 2.53 7.33 -44.72 2 6 1 59 341.435 5
Mid Mid (pH 6-8) 2.53 5.15 -41 2 6 1 59 341.435 5
Mid Mid (pH 6-8) 2.53 4.86 -12.23 1 6 0 58 340.427 5

Activity (Go SEA)

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