UCSF

ZINC01426043

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 19 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) 3.44 -1.55 -10.63 1 4 0 51 297.141 3
Lo Low (pH 4.5-6) 3.44 -0.99 -40.4 2 4 1 52 298.149 3

Activity (Go SEA)

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