UCSF

ZINC22037748

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 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) 1.81 5.95 -36.91 1 4 1 34 263.361 5
Mid Mid (pH 6-8) 1.81 3.66 -7.64 0 4 0 33 262.353 5
Mid Mid (pH 6-8) 1.81 5.87 -40.19 1 4 1 34 263.361 5

Activity (Go SEA)

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