UCSF

ZINC41392097

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 0.53 3.96 -29.69 1 4 1 32 210.301 4
Hi High (pH 8-9.5) 0.53 3.61 -7.32 0 4 0 30 209.293 4
Mid Mid (pH 6-8) 0.53 5.87 -47.97 1 4 1 31 210.301 4
Lo Low (pH 4.5-6) 0.53 6.24 -95.53 2 4 2 33 211.309 4

Activity (Go SEA)

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