UCSF

ZINC05595920

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 23 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) 3.62 6.12 -52.29 1 4 -1 69 391.628 3
Mid Mid (pH 6-8) 4.07 -2.59 -17.36 2 4 0 66 392.636 2

Activity (Go SEA)

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