UCSF

ZINC35450605

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 27 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) 0.71 7.71 -22.21 1 8 0 99 367.409 7
Lo Low (pH 4.5-6) 0.71 8.17 -44.44 2 8 1 100 368.417 7

Activity (Go SEA)

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