UCSF

ZINC49942703

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 15 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) 1.12 1.13 -123.71 5 4 2 71 322.146 4
Hi High (pH 8-9.5) 1.12 1.2 -69.51 3 4 0 72 320.13 4

Activity (Go SEA)

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