UCSF

ZINC37855975

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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 0.72 -96.01 5 4 2 61 220.357 9
Mid Mid (pH 6-8) 0.47 1.25 -38.4 4 4 1 64 219.349 9

Activity (Go SEA)

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