UCSF

ZINC22772625

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 26 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) 4.00 14.41 -52.16 2 3 1 34 340.45 6
Mid Mid (pH 6-8) 4.00 13.34 -7.81 1 3 0 30 339.442 6
Lo Low (pH 4.5-6) 4.00 14.9 -93.47 3 3 2 36 341.458 6

Activity (Go SEA)

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