UCSF

ZINC36162778

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 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) -2.18 -2.21 -16.06 1 7 0 107 245.26 2
Hi High (pH 8-9.5) -2.00 -2.24 -42.52 0 7 -1 114 244.252 2

Activity (Go SEA)

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