UCSF

ZINC25065064

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 27 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) 4.04 7.43 -22.6 2 6 0 74 366.465 6
Mid Mid (pH 6-8) 4.04 7.72 -51.51 3 6 1 76 367.473 6

Activity (Go SEA)

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