UCSF

ZINC19864127

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 12 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) -1.06 -0.6 -42.66 3 4 1 64 172.252 6
Hi High (pH 8-9.5) -1.06 -2.16 -8.92 2 4 0 59 171.244 6
Mid Mid (pH 6-8) -1.06 1.83 -116.66 4 4 2 65 173.26 6

Activity (Go SEA)

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