UCSF

ZINC17180771

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 28 No

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) 3.35 8.61 -64.28 0 6 -1 83 382.436 7
Mid Mid (pH 6-8) 3.80 8.63 -15.24 1 6 0 80 383.444 6

Activity (Go SEA)

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