UCSF

ZINC25150007

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 33 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) 0.30 6.18 -26.68 2 10 0 144 487.563 7
Mid Mid (pH 6-8) 0.76 4.39 -67.35 1 10 -1 147 486.555 7

Activity (Go SEA)

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