UCSF

ZINC35598033

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 30 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) 3.58 10.66 -37.84 2 5 1 50 405.497 6
Hi High (pH 8-9.5) 3.58 10.35 -14.54 1 5 0 48 404.489 6
Mid Mid (pH 6-8) 3.58 12.88 -101.91 3 5 2 51 406.505 6
Mid Mid (pH 6-8) 3.58 12.56 -47.78 2 5 1 50 405.497 6

Activity (Go SEA)

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