UCSF

ZINC36999793

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.81 0.11 -48.47 7 6 1 112 279.364 6
Hi High (pH 8-9.5) 0.81 -0.18 -11.76 6 6 0 110 278.356 6

Activity (Go SEA)

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