UCSF

ZINC19506386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) 1.50 7.93 -95.07 5 3 2 56 255.365 5
Hi High (pH 8-9.5) 1.50 5.53 -35.52 4 3 1 55 254.357 5

Activity (Go SEA)

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