UCSF

ZINC37049453

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 0.16 1.6 -110.5 4 4 2 45 231.384 7
Hi High (pH 8-9.5) 0.16 -0.58 -2.44 2 4 0 42 229.368 7
Hi High (pH 8-9.5) 0.16 -0.2 -43.1 3 4 1 43 230.376 7
Mid Mid (pH 6-8) 0.16 2.13 -90.38 4 4 2 45 231.384 7

Activity (Go SEA)

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