UCSF

ZINC40290314

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 17 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) 0.45 4.31 -111.44 4 5 2 61 237.351 2
Hi High (pH 8-9.5) 0.45 1.6 -7.64 2 5 0 58 235.335 2
Mid Mid (pH 6-8) 0.45 1.95 -55.69 3 5 1 60 236.343 2
Lo Low (pH 4.5-6) 0.45 4.48 -188.65 5 5 3 62 238.359 2

Activity (Go SEA)

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