UCSF

ZINC36770576

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.04 6.58 -40.8 0 5 -1 65 269.708 3
Lo Low (pH 4.5-6) 2.04 7.04 -33.24 1 5 0 67 270.716 3

Activity (Go SEA)

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