UCSF

ZINC40413881

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 30 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) 2.78 14.86 -42.59 2 8 1 80 406.514 8
Mid Mid (pH 6-8) 2.78 14.34 -21.38 1 8 0 79 405.506 8
Lo Low (pH 4.5-6) 2.78 15.19 -73.73 3 8 2 82 407.522 8

Activity (Go SEA)

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