UCSF

ZINC39749994

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 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) 3.83 9.16 -60.02 1 4 -1 69 322.812 3
Lo Low (pH 4.5-6) 3.83 7.65 -9.04 2 4 0 66 323.82 3

Activity (Go SEA)

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