UCSF

ZINC65588657

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 19 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) 2.51 6.86 -7.09 0 2 0 16 262.303 5
Mid Mid (pH 6-8) 2.51 7.32 -37.72 1 2 1 17 263.311 5
Lo Low (pH 4.5-6) 2.51 9.18 -54.28 1 2 1 17 263.311 5

Activity (Go SEA)

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