UCSF

ZINC37078444

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.41 4.08 -39.28 3 3 1 34 262.421 5
Hi High (pH 8-9.5) 1.41 5.1 -34.5 3 3 1 34 262.421 5
Mid Mid (pH 6-8) 1.41 5.91 -118.85 4 3 2 35 263.429 5

Activity (Go SEA)

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