UCSF

ZINC36864670

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 1.54 4.42 -53.88 3 5 1 64 260.317 4
Hi High (pH 8-9.5) 1.54 3.05 -10.48 2 5 0 59 259.309 4

Activity (Go SEA)

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