UCSF

ZINC44259852

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 21 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) 0.80 0.4 -63.43 3 6 0 98 311.338 6
Hi High (pH 8-9.5) 0.80 -0.02 -39.63 2 6 -1 96 310.33 6
Mid Mid (pH 6-8) 0.80 0.39 -50.19 4 6 1 96 312.346 6

Activity (Go SEA)

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