UCSF

ZINC37081062

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 5.62 -113.6 4 2 2 32 204.317 2
Hi High (pH 8-9.5) -0.20 2.98 -2.35 2 2 0 29 202.301 2
Hi High (pH 8-9.5) -0.20 3.28 -43.66 3 2 1 31 203.309 2
Mid Mid (pH 6-8) -0.20 5.32 -31.26 3 2 1 30 203.309 2

Activity (Go SEA)

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