UCSF

ZINC40492161

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 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) -1.70 -6.31 -15.81 3 10 0 154 293.239 3
Hi High (pH 8-9.5) -1.24 -8.85 -54.93 2 10 -1 157 292.231 3

Activity (Go SEA)

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