UCSF

ZINC36870905

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 1.48 2.39 -52.26 4 4 1 66 240.233 4
Hi High (pH 8-9.5) 1.48 2.03 -11.47 3 4 0 64 239.225 4

Activity (Go SEA)

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