UCSF

ZINC40175237

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 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) 4.18 12.35 -32.86 1 5 1 47 390.507 6
Mid Mid (pH 6-8) 4.18 14.14 -44.44 1 5 1 47 390.507 6
Mid Mid (pH 6-8) 4.18 14.55 -88.09 2 5 2 48 391.515 6
Mid Mid (pH 6-8) 4.18 11.93 -7.21 0 5 0 46 389.499 6

Activity (Go SEA)

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