UCSF

ZINC35764614

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 35 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) 2.59 10.92 -19.6 0 7 0 66 475.589 11
Mid Mid (pH 6-8) 2.59 13.2 -65.89 1 7 1 67 476.597 11

Activity (Go SEA)

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