UCSF

ZINC37186331

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) -0.59 1.75 -39.86 2 5 1 49 244.359 6
Hi High (pH 8-9.5) -0.59 0.48 -10.03 1 5 0 45 243.351 6
Lo Low (pH 4.5-6) -0.59 3.94 -102.93 3 5 2 51 245.367 6

Activity (Go SEA)

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