UCSF

ZINC15770882

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 29 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) 3.90 12.93 -18.25 1 6 0 61 388.471 7
Mid Mid (pH 6-8) 3.90 13.38 -34.78 2 6 1 62 389.479 7

Activity (Go SEA)

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