UCSF

ZINC42166057

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 17 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) 0.59 -0.2 -36.91 3 5 1 60 242.343 4
Lo Low (pH 4.5-6) 0.59 2.09 -88.98 4 5 2 62 243.351 4

Activity (Go SEA)

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