UCSF

ZINC36986826

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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 7.19 -41.13 3 2 1 30 235.376 3
Mid Mid (pH 6-8) 1.40 5.2 -8.1 2 2 0 29 234.368 3

Activity (Go SEA)

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