UCSF

ZINC41933554

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 25 No

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) 1.38 4.8 -14.8 1 6 0 62 369.531 4
Mid Mid (pH 6-8) 1.38 6.45 -46.06 2 6 1 63 370.539 4

Activity (Go SEA)

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