UCSF

ZINC10091840

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 22 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) 3.45 -1.06 -9.81 0 4 0 42 318.442 1
Lo Low (pH 4.5-6) 3.45 -1.02 -34.23 1 4 1 43 319.45 1

Activity (Go SEA)

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