UCSF

ZINC36786216

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.29 4.06 -55.42 3 4 1 65 283.417 5
Hi High (pH 8-9.5) 0.29 3.73 -8.66 2 4 0 63 282.409 5

Activity (Go SEA)

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