UCSF

ZINC22455483

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 25 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) 4.63 12.23 -38.93 1 2 1 8 335.515 4
Mid Mid (pH 6-8) 4.63 12.29 -36.97 1 2 1 8 335.515 4
Mid Mid (pH 6-8) 4.63 9.96 -2.91 0 2 0 6 334.507 4

Activity (Go SEA)

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