UCSF

ZINC31274852

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 26 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) 3.34 13.73 -54.06 1 4 0 57 348.446 6
Hi High (pH 8-9.5) 3.34 11.29 -55.5 0 4 -1 56 347.438 6
Lo Low (pH 4.5-6) 3.34 13.97 -95.7 2 4 1 59 349.454 6

Activity (Go SEA)

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