UCSF

ZINC37145622

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 3.00 5.04 -7.39 0 3 0 36 236.359 3
Mid Mid (pH 6-8) 3.00 7.03 -41.86 1 3 1 37 237.367 3

Activity (Go SEA)

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