UCSF

ZINC35782487

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 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) 1.34 2.18 -8.65 3 5 0 67 274.368 3
Mid Mid (pH 6-8) 1.34 4.36 -41.52 4 5 1 68 275.376 3
Lo Low (pH 4.5-6) 1.34 4.78 -102.08 5 5 2 70 276.384 3
Lo Low (pH 4.5-6) 1.34 2.6 -30.19 4 5 1 68 275.376 3

Activity (Go SEA)

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