UCSF

ZINC37039043

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.48 6.3 -109.28 4 5 2 62 287.448 6
Hi High (pH 8-9.5) 1.48 5.91 -36.09 3 5 1 60 286.44 6
Mid Mid (pH 6-8) 1.48 4.81 -43.26 3 5 1 60 286.44 6

Activity (Go SEA)

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