UCSF

ZINC19820199

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 34 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) 2.97 8.94 -22.71 1 9 0 111 474.498 6
Hi High (pH 8-9.5) 3.16 7.88 -53.88 0 9 -1 117 473.49 6

Activity (Go SEA)

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