UCSF

ZINC34987022

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 27 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) 3.40 8.97 -66.31 4 6 1 84 371.505 10
Hi High (pH 8-9.5) 3.40 10.18 -99.8 3 6 0 87 370.497 10
Lo Low (pH 4.5-6) 3.40 9.28 -119.53 5 6 2 85 372.513 10

Activity (Go SEA)

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