UCSF

ZINC19814270

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 17 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) -0.93 4.48 -51.08 2 5 1 74 233.295 6
Hi High (pH 8-9.5) -0.93 3.01 -14.73 1 5 0 69 232.287 6
Lo Low (pH 4.5-6) -0.93 4.92 -100.95 3 5 2 75 234.303 6

Activity (Go SEA)

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