UCSF

ZINC35343391

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 20 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) 1.99 6.64 -35.72 4 4 1 55 271.388 4
Hi High (pH 8-9.5) 1.99 4.5 -7.12 3 4 0 54 270.38 4
Mid Mid (pH 6-8) 1.99 7.1 -86.95 5 4 2 57 272.396 4

Activity (Go SEA)

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