UCSF

ZINC37286434

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 16 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) 0.91 4.82 -56.54 2 4 0 60 230.352 9
Hi High (pH 8-9.5) 0.91 5.61 -58.58 2 4 0 57 230.352 9
Mid Mid (pH 6-8) 0.91 6.93 -112.73 3 4 1 61 231.36 9

Activity (Go SEA)

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