UCSF

ZINC25387311

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 27 No

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) 2.35 8.17 -17.66 1 9 0 111 368.349 5
Mid Mid (pH 6-8) 2.35 8.56 -43.5 2 9 1 112 369.357 5

Activity (Go SEA)

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