UCSF

ZINC36990344

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 2.87 4.92 -45.42 3 4 1 49 355.3 5
Hi High (pH 8-9.5) 2.87 3.97 -9.01 2 4 0 44 354.292 5
Mid Mid (pH 6-8) 2.87 6.16 -40.61 3 4 1 46 355.3 5

Activity (Go SEA)

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