UCSF

ZINC40487416

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 29 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) -1.72 4.79 -372.16 2 14 -4 215 510.272 8
Mid Mid (pH 6-8) -1.72 3.63 -238.04 3 14 -3 213 511.28 8
Lo Low (pH 4.5-6) -1.72 2.68 -145.82 3 14 -2 213 512.288 8

Activity (Go SEA)

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