UCSF

ZINC37042759

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.02 3.07 -49.07 4 5 1 77 268.381 4
Hi High (pH 8-9.5) 0.02 3.28 -12.22 3 5 0 75 267.373 4

Activity (Go SEA)

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