UCSF

ZINC38602222

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 21 No

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) -0.23 2.41 -73.41 1 8 -1 120 289.223 1
Hi High (pH 8-9.5) -0.23 3.19 -111.99 0 8 -2 123 288.215 1
Lo Low (pH 4.5-6) -0.23 1.28 -17.24 2 8 0 117 290.231 1

Activity (Go SEA)

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