UCSF

ZINC36990280

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) 2.89 4.93 -46.37 3 4 1 49 355.3 5
Hi High (pH 8-9.5) 2.89 3.98 -9.26 2 4 0 44 354.292 5
Mid Mid (pH 6-8) 2.89 6.16 -41.55 3 4 1 46 355.3 5

Activity (Go SEA)

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