UCSF

ZINC43402102

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) 0.74 -1.1 -42.91 3 6 1 79 255.342 4
Hi High (pH 8-9.5) 0.74 -1.35 -6.44 2 6 0 77 254.334 4
Mid Mid (pH 6-8) 0.74 1.1 -97.47 4 6 2 80 256.35 4

Activity (Go SEA)

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