UCSF

ZINC15068482

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 32 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) 4.39 8.93 -46.51 0 6 -1 78 473.571 7
Mid Mid (pH 6-8) 4.39 11.19 -71.65 1 6 0 79 474.579 7
Lo Low (pH 4.5-6) 4.39 8.86 -17.27 1 6 0 76 474.579 7

Activity (Go SEA)

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