UCSF

ZINC43231788

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) -0.18 -1.01 -48.28 4 5 1 69 255.386 7
Hi High (pH 8-9.5) -0.18 0.44 -35.35 4 5 1 69 255.386 7
Lo Low (pH 4.5-6) -0.18 0.76 -114.97 5 5 2 70 256.394 7

Activity (Go SEA)

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