UCSF

ZINC27583733

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 16 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) 1.70 3.14 -36.63 1 5 -1 68 236.276 3
Lo Low (pH 4.5-6) 1.70 3.09 -12.91 2 5 0 70 237.284 3

Activity (Go SEA)

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