UCSF

ZINC04201702

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 13 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) 1.20 2.33 -48.11 4 3 1 57 179.243 3

Activity (Go SEA)

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