UCSF

ZINC37019861

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 1.19 4.08 -48.35 4 5 1 73 263.365 5
Hi High (pH 8-9.5) 1.19 3.75 -9.69 3 5 0 71 262.357 5
Mid Mid (pH 6-8) 1.19 4.53 -90.15 5 5 2 74 264.373 5

Activity (Go SEA)

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