UCSF

ZINC40413760

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 20 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) 3.03 4.73 -7.92 0 4 0 41 361.305 4
Mid Mid (pH 6-8) 3.03 6.68 -40.94 1 4 1 42 362.313 4

Activity (Go SEA)

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