UCSF

ZINC37826969

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 No

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) 0.07 2.57 -40.08 2 4 1 40 242.368 2
Mid Mid (pH 6-8) 0.07 3.61 -42.08 2 4 1 37 242.368 2
Mid Mid (pH 6-8) 0.07 4.91 -96.73 3 4 2 41 243.376 2
Mid Mid (pH 6-8) 0.07 1.27 -6.28 1 4 0 36 241.36 2

Activity (Go SEA)

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