UCSF

ZINC20191128

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 33 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) 3.57 10.66 -71.93 1 7 0 83 452.551 9
Hi High (pH 8-9.5) 3.57 8.13 -60.35 0 7 -1 82 451.543 9
Lo Low (pH 4.5-6) 3.57 9.85 -52.36 2 7 1 81 453.559 9

Activity (Go SEA)

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