UCSF

ZINC36170684

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 1.48 6.66 -58.5 0 5 -1 64 283.392 5
Mid Mid (pH 6-8) 1.48 8.73 -76.22 1 5 0 65 284.4 5
Lo Low (pH 4.5-6) 1.48 6.89 -44.08 2 5 1 62 285.408 5

Activity (Go SEA)

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