UCSF

ZINC04122252

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 14 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) -0.14 -1.07 -7.77 3 5 0 81 194.19 3
Hi High (pH 8-9.5) 0.36 -5.26 -48.72 2 5 -1 89 193.182 3

Activity (Go SEA)

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