UCSF

ZINC35020446

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.77 5.41 -37.32 1 4 1 34 263.361 4
Mid Mid (pH 6-8) 1.77 3.03 -7.35 0 4 0 33 262.353 4
Mid Mid (pH 6-8) 1.77 5.42 -35.57 1 4 1 34 263.361 4

Activity (Go SEA)

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