UCSF

ZINC37813996

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 0.29 4.91 -86.47 4 5 2 67 238.335 5
Mid Mid (pH 6-8) 0.29 4.41 -40.09 3 5 1 66 237.327 5

Activity (Go SEA)

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