UCSF

ZINC25147170

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 30 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) 3.03 4.19 -22.86 4 8 0 116 422.466 5
Hi High (pH 8-9.5) 3.03 4.27 -59.93 3 8 -1 118 421.458 5

Activity (Go SEA)

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