UCSF

ZINC35220075

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 21 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) 1.15 2.64 -12.1 1 7 0 97 334.419 5
Mid Mid (pH 6-8) 1.61 0.34 -43.85 0 7 -1 100 333.411 5

Activity (Go SEA)

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