UCSF

ZINC27711683

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 26 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) 0.32 9.35 -96.47 1 7 0 83 358.373 3
Hi High (pH 8-9.5) 0.32 6.67 -59.7 0 7 -1 82 357.365 3
Lo Low (pH 4.5-6) -3.26 8.4 -69.77 2 7 1 86 359.381 2

Activity (Go SEA)

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