UCSF

ZINC43402068

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 0.57 -0.99 -43.28 3 6 1 79 255.342 3
Hi High (pH 8-9.5) 0.57 -1.24 -6.69 2 6 0 77 254.334 3
Mid Mid (pH 6-8) 0.57 1.24 -97.2 4 6 2 80 256.35 3

Activity (Go SEA)

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