UCSF

ZINC70517816

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 2.17 4.31 -37.89 3 4 1 59 287.383 7
Hi High (pH 8-9.5) 2.17 3.2 -11.12 2 4 0 54 286.375 7
Lo Low (pH 4.5-6) 2.17 4.8 -76.3 4 4 2 60 288.391 7

Activity (Go SEA)

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