UCSF

ZINC37800844

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.53 4.97 -39.19 2 4 1 40 294.444 3
Hi High (pH 8-9.5) 1.53 3.71 -8.59 1 4 0 36 293.436 3
Lo Low (pH 4.5-6) 1.53 7.19 -100 3 4 2 41 295.452 3

Activity (Go SEA)

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