UCSF

ZINC34977242

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) -0.19 2.08 -51.23 3 6 1 79 252.294 3
Lo Low (pH 4.5-6) -0.19 4.03 -124.27 4 6 2 80 253.302 3
Lo Low (pH 4.5-6) -0.19 2.72 -48.21 3 6 1 76 252.294 3

Activity (Go SEA)

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