UCSF

ZINC44723238

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 0.70 5.46 -38.51 2 4 1 37 252.382 4
Mid Mid (pH 6-8) 0.70 4.13 -37.7 2 4 1 40 252.382 4
Lo Low (pH 4.5-6) 0.70 6.47 -107.55 3 4 2 41 253.39 4

Activity (Go SEA)

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