UCSF

ZINC37081061

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) -0.20 6.56 -118.96 4 2 2 32 204.317 2
Hi High (pH 8-9.5) -0.20 4.25 -2.58 2 2 0 29 202.301 2
Hi High (pH 8-9.5) -0.20 4.58 -37.82 3 2 1 31 203.309 2
Mid Mid (pH 6-8) -0.20 6.23 -32.16 3 2 1 30 203.309 2

Activity (Go SEA)

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