UCSF

ZINC43411892

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) 1.79 6.2 -34.05 2 3 1 29 208.329 4
Hi High (pH 8-9.5) 1.79 3.85 -4.14 1 3 0 28 207.321 4
Lo Low (pH 4.5-6) 1.79 6.64 -83.39 3 3 2 31 209.337 4

Activity (Go SEA)

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