UCSF

ZINC44264250

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 15 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) -0.17 3.43 -57.81 4 4 1 69 205.285 2
Hi High (pH 8-9.5) -0.17 2.47 -39.25 3 4 0 68 204.277 2
Hi High (pH 8-9.5) -0.17 3.11 -7.29 3 4 0 68 204.277 2
Lo Low (pH 4.5-6) -0.17 3.43 -112.44 5 4 2 70 206.293 2

Activity (Go SEA)

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