UCSF

ZINC25149827

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 31 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) 3.10 8.33 -50.28 0 8 -1 102 439.517 9
Mid Mid (pH 6-8) 2.64 10.12 -11.67 1 8 0 99 440.525 9

Activity (Go SEA)

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