UCSF

ZINC38271584

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 14 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) 0.03 4.32 -182.84 6 3 3 49 202.366 7
Hi High (pH 8-9.5) 0.03 1.71 -38.24 4 3 1 46 200.35 7
Mid Mid (pH 6-8) 0.03 2.09 -107.26 5 3 2 47 201.358 7
Mid Mid (pH 6-8) 0.03 2.97 -84.06 5 3 2 44 201.358 7

Activity (Go SEA)

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