UCSF

ZINC13062772

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 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) 4.18 10.86 -47.58 2 6 1 76 438.932 7
Mid Mid (pH 6-8) 4.18 8.7 -11.79 1 6 0 75 437.924 7
Mid Mid (pH 6-8) 4.64 8.3 -40.91 1 6 0 80 437.924 7

Activity (Go SEA)

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