UCSF

ZINC34627461

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 21 No

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 -2.1 -16.49 5 6 0 118 288.255 3
Hi High (pH 8-9.5) 2.04 -1.32 -50.09 4 6 -1 121 287.247 3

Activity (Go SEA)

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