UCSF

ZINC36977976

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 0.14 0.86 -46.68 3 5 1 79 205.241 3
Lo Low (pH 4.5-6) 0.14 1.33 -94.19 4 5 2 81 206.249 3

Activity (Go SEA)

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