UCSF

ZINC16050950

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2008 23 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) 5.11 9.52 -11.71 1 4 0 63 330.453 7
Hi High (pH 8-9.5) 5.57 8.4 -47.16 0 4 -1 66 329.445 7

Activity (Go SEA)

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