UCSF

ZINC31996700

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) 0.78 -0 -42.91 3 3 1 40 199.318 3
Hi High (pH 8-9.5) 0.78 0.64 -31.34 3 3 1 37 199.318 3
Lo Low (pH 4.5-6) 0.78 2.13 -108.12 4 3 2 41 200.326 3

Activity (Go SEA)

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