UCSF

ZINC42409289

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 15 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) 1.19 2.26 -38.92 3 3 1 40 215.361 7
Hi High (pH 8-9.5) 1.19 2.56 -31.67 3 3 1 37 215.361 7
Mid Mid (pH 6-8) 1.19 3.91 -111.23 4 3 2 41 216.369 7

Activity (Go SEA)

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