UCSF

ZINC35598036

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) 4.09 11.11 -37.01 2 5 1 50 421.952 6
Hi High (pH 8-9.5) 4.09 10.8 -13.75 1 5 0 48 420.944 6
Mid Mid (pH 6-8) 4.09 13.33 -101.07 3 5 2 51 422.96 6
Mid Mid (pH 6-8) 4.09 13.01 -47.04 2 5 1 50 421.952 6

Activity (Go SEA)

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