UCSF

ZINC36171009

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 13 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) 0.74 2.54 -31.9 1 3 1 20 185.291 3
Hi High (pH 8-9.5) 0.74 0.11 -3.93 0 3 0 19 184.283 3

Activity (Go SEA)

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