UCSF

ZINC40050925

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 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) 2.46 4.49 -14.57 3 7 0 104 421.494 8
Mid Mid (pH 6-8) 2.46 4.76 -47.22 2 7 -1 106 420.486 8

Activity (Go SEA)

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