UCSF

ZINC14397818

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2008 21 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) 3.80 6.6 -10.8 1 6 0 92 371.212 4
Hi High (pH 8-9.5) 3.80 6.67 -37.68 0 6 -1 94 370.204 4

Activity (Go SEA)

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