UCSF

ZINC36455652

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 10 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) 2.00 6.11 -43.16 0 2 -1 40 141.19 5
Lo Low (pH 4.5-6) 2.00 4.14 -4.95 1 2 0 37 142.198 5

Activity (Go SEA)

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