UCSF

ZINC36854241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 1.40 6.33 -48.69 2 4 1 54 267.374 5
Mid Mid (pH 6-8) 1.40 5.05 -8.7 1 4 0 49 266.366 5

Activity (Go SEA)

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