UCSF

ZINC36379081

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 28 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) 3.52 11.5 -16.45 1 8 0 116 402.484 18
Hi High (pH 8-9.5) 4.10 11.73 -48.56 1 8 -1 122 401.476 17

Activity (Go SEA)

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