UCSF

ZINC19672440

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 19 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) 0.14 -2.03 -70.33 6 6 1 117 286.377 5
Hi High (pH 8-9.5) 0.14 -2.3 -20.95 5 6 0 115 285.369 5

Activity (Go SEA)

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