UCSF

ZINC02200079

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2004 29 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) 3.99 -0.87 -16.47 1 7 0 78 412.467 7

Activity (Go SEA)

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