UCSF

ZINC36889888

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 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) 3.96 5.95 -12.66 0 4 0 59 267.26 3
Mid Mid (pH 6-8) 2.77 8.8 -21.69 0 4 0 53 268.268 4

Activity (Go SEA)

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