UCSF

ZINC13387964

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 19 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) 1.61 4.93 -53.63 1 5 -1 82 278.309 5

Activity (Go SEA)

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