UCSF

ZINC36397829

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2009 18 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) 0.47 2.75 -14.03 1 5 0 64 243.266 4
Lo Low (pH 4.5-6) 0.47 3.16 -43.73 2 5 1 65 244.274 4

Activity (Go SEA)

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