UCSF

ZINC36839475

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 0.47 7.81 -38.34 2 4 0 81 232.283 6
Hi High (pH 8-9.5) 0.47 6.8 -43.14 1 4 -1 76 231.275 6

Activity (Go SEA)

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