UCSF

ZINC36829120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 18 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) 1.03 0.06 -36.51 1 6 -1 94 284.704 3
Lo Low (pH 4.5-6) 1.03 -0.15 -14.67 2 6 0 92 285.712 3

Activity (Go SEA)

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