UCSF

ZINC35179877

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 15 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) 0.67 0.72 -5.21 3 6 0 91 210.237 2
Hi High (pH 8-9.5) 1.13 -0.94 -36.93 2 6 -1 94 209.229 2

Activity (Go SEA)

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