UCSF

ZINC20598872

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 24 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) 3.04 6.2 -33.74 2 4 1 37 333.496 7
Hi High (pH 8-9.5) 3.04 4.06 -5.98 1 4 0 36 332.488 7
Mid Mid (pH 6-8) 3.04 6.45 -34.32 2 4 1 37 333.496 7

Activity (Go SEA)

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