UCSF

ZINC36387040

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 25 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) 2.28 13.78 -114.19 3 5 2 54 333.439 7
Hi High (pH 8-9.5) 2.28 11.91 -14.08 1 5 0 48 331.423 7
Lo Low (pH 4.5-6) 2.28 14.26 -157.44 4 5 3 55 334.447 7

Activity (Go SEA)

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