UCSF

ZINC16903702

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 27 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) 4.97 10.69 -10.52 1 4 0 47 364.489 6
Mid Mid (pH 6-8) 4.97 11.09 -32.56 2 4 1 49 365.497 6

Activity (Go SEA)

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